SCHEMBL463497

SCHEMBL463497

CCc1c(C)ccnc1C

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.63
NOS3 P29474 4/20 0.63
CCR1 P32246 3/20 0.39
CCR5 P51681 3/20 0.39
CCR8 P51685 3/20 0.39
CYP2A6 P11509 1/20 0.35
NOS1 P29475 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
NMT1 P30419 1/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
PSMD14 O00487 1/20 0.31
COPS5 Q92905 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
UHRF1 Q96T88 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL26177037 0.82 NOS2 (0.66) NOS2NOS3CCR1CCR5CCR8
SCHEMBL5009720 0.79 NOS2 (0.45) NOS2NOS3CCR1CCR5CCR8
SCHEMBL7735588 0.79 NOS2 (0.45) NOS2NOS3CCR1CCR5CCR8
SCHEMBL7117691 0.79 NOS2 (0.45) NOS2NOS3CYP2A6NOS1TAAR1
SCHEMBL3294193 0.79 NOS2 (0.50) NOS2NOS3CCR1CCR5CCR8
SCHEMBL27964282 0.79 NOS2 (0.45) NOS2NOS3CCR1CCR5CCR8
SCHEMBL11843661 0.79 NOS2 (0.61) NOS2NOS3CCR1CCR5CCR8
SCHEMBL31150926 0.79 NOS2 (0.45) NOS2NOS3CCR1CCR5CCR8
SCHEMBL13059144 0.79 NOS2 (0.45) NOS2NOS3CCR1CCR5CCR8
SCHEMBL305502 0.79 NOS2 (0.45) NOS2NOS3CCR1CCR5CCR8

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4217457-A Highly selective oxidizing process for preparing pyridin-carboxylic acids LUIGI STOPPANI S.P.A. (IT) 1980-08-12 US claimed
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 US disclosed
US-20230142508-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
WO-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-07-06 US disclosed
EP-2651899-B1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-05-31 EP disclosed
CN-106483229-A In a kind of Nicotiana tabacum L. by water distillation and extraction, volatility causes perfumery to build method and the application of Nicotiana tabacum L. finger printing 中国烟草总公司广东省公司 2017-03-08 CN disclosed
US-20160060262-A1 Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof GENENTECH, INC. (US) 2016-03-03 US disclosed
US-9206175-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2015-12-08 US disclosed
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-03-27 US disclosed
US-8114874-B2 Substituted acetylenic imidazo[1,2-B]pyridazine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-7759487-B2 Preparation of ketone amides SCHERING CORPORATION (US) 2010-07-20 US disclosed
US-20100179172-A1 N-PHENYL-METHANAMINE DERIVATIVE AND PESTICIDE CONTAINING IT ISHIHARA SANGYO KAISHA , LTD. (JP) 2010-07-15 US disclosed
US-20100179172-A1 N-PHENYL-METHANAMINE DERIVATIVE AND PESTICIDE CONTAINING IT ISHIHARA SANGYO KAISHA , LTD. (JP) 2010-07-15 US disclosed
US-20100029939-A1 PREPARATION OF KETONE AMIDES SCHERING CORPORATION 2010-02-04 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US 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 (12 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-20230142508-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION IAPP, GPR119, PNLIP NOS2 2907/4885NOS3 2499/4885CCR1 4564/4885
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 NOS2 1590/4885NOS3 1008/4885CCR1 49/4885
US-20090176781-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA NOS2 4622/4885NOS3 4466/4885CCR1 3892/4885
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH NOS2 1280/4885NOS3 1040/4885CCR1 1630/4885
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 NOS2 2587/4885NOS3 3141/4885CCR1 2558/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 NOS2 3642/4885NOS3 3310/4885CCR1 2217/4885
US-20160060262-A1 Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof XDH, CYP2B6, COX6B1 NOS2 167/4885NOS3 50/4885CCR1 836/4885
US-20100029939-A1 PREPARATION OF KETONE AMIDES CCR5, CCR2, ACKR3 NOS2 2414/4885NOS3 1604/4885CCR1 7/4885
US-20100179172-A1 N-PHENYL-METHANAMINE DERIVATIVE AND PESTICIDE CONTAINING IT CHRM2, CHRM5, CHRM3 NOS2 1101/4885NOS3 874/4885CCR1 1154/4885
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF XDH, CYP2B6, COX6B1 NOS2 167/4885NOS3 50/4885CCR1 836/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 NOS2 1416/4885NOS3 1425/4885CCR1 1334/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 NOS2 1416/4885NOS3 1425/4885CCR1 1334/4885

“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.