SCHEMBL176930

SCHEMBL176930

NC(=O)[C@@H]1CCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.58
IDO1 P14902 2/20 0.47
KCNQ2 O43526 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
SIRT1 Q96EB6 1/20 0.44
PDPK1 O15530 1/20 0.43
CRBN Q96SW2 1/20 0.43
ACP3 P15309 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2475968 1.00 PIN1 (0.58) PIN1IDO1KCNQ2CA1CA2
SCHEMBL29528570 1.00 PIN1 (0.58) PIN1IDO1KCNQ2CA1CA2
SCHEMBL643577 1.00 PIN1 (0.58) PIN1IDO1KCNQ2CA1CA2
SCHEMBL30252198 0.89 IDO1 (0.50) PIN1IDO1SIRT1CRBN
SCHEMBL5732694 0.89 IDO1 (0.50) PIN1IDO1SIRT1CRBN
SCHEMBL177082 0.89 IDO1 (0.50) PIN1IDO1SIRT1CRBN
SCHEMBL29934643 0.89 IDO1 (0.50) PIN1IDO1SIRT1CRBN
SCHEMBL3812210 0.89 IDO1 (0.50) PIN1IDO1SIRT1CRBN
Pyridine SCHEMBL19209999 0.89 PIN1 (0.49) PIN1IDO1KCNQ2TRPM8
SCHEMBL5848583 0.87 PIN1 (0.46) PIN1IDO1CRBN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 74 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-04-12 US claimed
US-9856220-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-02 US claimed
EP-2780324-B1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-05-17 EP claimed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP claimed
US-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. 2016-11-03 US claimed
US-9409917-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-09 US claimed
EP-2804865-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-23 EP claimed
US-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-01-22 US claimed
EP-2804865-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-11-26 EP claimed
EP-2780324-A1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A Abbvie Deutschland GmbH & Co. KG (DE) 2014-09-24 EP claimed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US claimed
WO-2013108227-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-25 WO claimed
WO-2013068489-A1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-05-16 WO claimed
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 US claimed
US-8378096-B2 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US claimed
EP-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP claimed
US-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-06 US claimed
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-20 US claimed
US-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-31 US claimed
US-11746091-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2023-09-05 US disclosed
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2023-02-02 US disclosed
US-11214548-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2022-01-04 US disclosed
US-20210188781-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2021-06-24 US disclosed
US-20200078358-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2020-03-12 US disclosed
CN-110709085-A Compounds and methods for treating visceral pain 艾尼纳制药公司 2020-01-17 CN disclosed
US-10308610-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2019-06-04 US disclosed
US-20180354907-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2018-12-13 US disclosed
EP-3363788-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2018-08-22 EP disclosed
US-9944606-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2018-04-17 US disclosed
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-04-12 US disclosed
US-9856220-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-02 US disclosed
EP-2780324-B1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-05-17 EP disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
US-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. 2016-11-03 US disclosed
US-9428464-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2016-08-30 US disclosed
US-9409917-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-09 US disclosed
EP-2144885-B1 IMIDAZOLIDINE CARBOXAMIDE DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS SANOFI SA (FR) 2016-06-29 EP disclosed
EP-2804865-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-23 EP disclosed
US-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-01-22 US disclosed
EP-2804865-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-11-26 EP disclosed
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2014-11-06 US disclosed
EP-2780324-A1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A Abbvie Deutschland GmbH & Co. KG (DE) 2014-09-24 EP disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-8778950-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
EP-2751086-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2014-07-09 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
EP-2001879-B1 AZOLOPYRIDIN-3-ONE DERIVATIVES AS INHIBITORS OF ENDOTHELIAL LIPASE SANOFI SA (FR) 2013-08-21 EP disclosed
WO-2013108227-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-25 WO disclosed
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-06-27 US disclosed
WO-2013068489-A1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-05-16 WO disclosed
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 US disclosed
WO-2013033068-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF COURTNEY STEPHEN MARTIN (GB) 2013-03-07 WO disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-8378096-B2 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
US-8378117-B2 1-(4-fluoro-phenyl)-8-(4-methyl-benzyl)-1,4,5,6,7,8-hexahydro-cycloheptapyrazole-3-carboxylic acid (1,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-amide; antidepressant, anxiolytic; nervous system disorders, metabolic disorders, obesity JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
US-20120214766-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2012-08-23 US disclosed
EP-2470508-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2012-07-04 EP disclosed
EP-1896485-B1 AZOLOPYRIDINE-2-ON DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS SANOFI AVENTIS (FR) 2010-05-19 EP disclosed
EP-2144885-A1 IMIDAZOLIDINE CARBOXAMIDE DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS Sanofi-Aventis (FR) 2010-01-20 EP disclosed
US-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-06 US disclosed
US-20090054478-A1 AZOLOPYRIDIN-3-ONE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES SANOFI-AVENTIS (FR) 2009-02-26 US disclosed
WO-2008122352-A1 IMIDAZOLIDINE CARBOXAMIDE DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS SANOFI-AVENTIS (FR) 2008-10-16 WO disclosed
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-20 US disclosed
EP-1896485-A1 AZOLOPYRIDINE-2-ON DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS Sanofi-Aventis (FR) 2008-03-12 EP disclosed
US-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-31 US disclosed
US-7179918-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2007-02-20 US disclosed
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2007-01-25 US disclosed
WO-2006131231-A1 AZOLOPYRIDINE-2-ON DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS SANOFI-AVENTIS (DE) 2006-12-14 WO disclosed
US-7094909-B2 Reacting an amide compound containing hydroxy and a carboxyl group and having benzene ring, with a halogenated alkyl aminocarbonyl-pyrrolidine with 2-fluoro groups substituted at the ring carbon, by amindation of amine and carboxyl group AGOURON PHARMACEUTICALS, INC. (US) 2006-08-22 US disclosed
US-20040204591-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2004-10-14 US disclosed
EP-1409466-A2 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2004-04-21 EP disclosed
US-20030225071-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis PFIZER INC. 2003-12-04 US disclosed
WO-2002100844-A2 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
WO-2002100844-A2 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (22 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, PEPD, PREP PIN1 319/4885IDO1 897/4885KCNQ2 4498/4885
US-20120214766-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 PIN1 1926/4885IDO1 1290/4885KCNQ2 952/4885
US-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS CNR2, CNR1, FAAH PIN1 1706/4885IDO1 1290/4885KCNQ2 741/4885
US-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX1, P2RX3 PIN1 3779/4885IDO1 1408/4885KCNQ2 259/4885
US-20200078358-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 PIN1 2043/4885IDO1 212/4885KCNQ2 918/4885
US-20180354907-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 PIN1 1926/4885IDO1 1290/4885KCNQ2 952/4885
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO PIN1 2803/4885IDO1 15/4885KCNQ2 378/4885
US-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B PIN1 2109/4885IDO1 287/4885KCNQ2 794/4885
US-10308610-B2 Inhibitor compounds of phosphodiesterase type 10A PDE3A, PDE5A, PDE3B PIN1 2170/4885IDO1 288/4885KCNQ2 777/4885
US-20030225071-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, FURIN, PEPD PIN1 370/4885IDO1 791/4885KCNQ2 4537/4885
US-20090054478-A1 AZOLOPYRIDIN-3-ONE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES PNLIP, LPL, CEL PIN1 2258/4885IDO1 732/4885KCNQ2 2586/4885
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators CNR2, CNR1, FAAH PIN1 1706/4885IDO1 1290/4885KCNQ2 741/4885
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE7A, PDE5A, PDE2A PIN1 1312/4885IDO1 1702/4885KCNQ2 486/4885
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 PIN1 1237/4885IDO1 206/4885KCNQ2 2099/4885
US-11746091-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 PIN1 1926/4885IDO1 1290/4885KCNQ2 952/4885
US-20040204591-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis FURIN, PREP, PRSS1 PIN1 101/4885IDO1 250/4885KCNQ2 4067/4885
US-11214548-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 PIN1 1926/4885IDO1 1290/4885KCNQ2 952/4885
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B PIN1 2103/4885IDO1 291/4885KCNQ2 771/4885
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 PIN1 2043/4885IDO1 212/4885KCNQ2 918/4885
US-20210188781-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 PIN1 1926/4885IDO1 1290/4885KCNQ2 952/4885
US-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators CNR2, CNR1, FAAH PIN1 1706/4885IDO1 1290/4885KCNQ2 741/4885
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 PIN1 1926/4885IDO1 1290/4885KCNQ2 952/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.