SCHEMBL1730210

SCHEMBL1730210

OCCCN1CCC2(CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
ESRRB O95718 2/20 0.36
ESR1 P03372 2/20 0.36
ESRRG P62508 2/20 0.36
TSHR P16473 2/20 0.35
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33

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
SCHEMBL14967586 0.92 ESRRB (0.42) OPRM1OPRL1ESRRBESR1ESRRG
SCHEMBL1731711 0.86 KDM4E (0.37) OPRM1OPRL1ESRRBESR1ESRRG
SCHEMBL19159867 0.78 OPRM1 (0.57) OPRM1OPRL1TSHRS1PR4S1PR1
SCHEMBL23420505 0.78 KEAP1 (0.43) OPRM1OPRL1DRD2DRD3
SCHEMBL23421790 0.78 OPRM1 (0.40) OPRM1OPRL1TSHRS1PR4S1PR1
SCHEMBL19159433 0.77 OPRM1 (0.52) OPRM1OPRL1S1PR4S1PR1S1PR3
Hydrochloric Acid SCHEMBL25364779 0.77 ESRRB (0.39) ESRRBESR1ESRRGTSHR
SCHEMBL4489191 0.77 HRH3 (0.34) OPRM1TSHRS1PR4S1PR1S1PR3
SCHEMBL14967930 0.76 TSHR (0.40) TSHR
SCHEMBL14968315 0.75 HRH2 (0.46) TSHRS1PR4S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973407-B1 SPIRO COMPOUNDS AND METHODS OF USE CHEN GUOQING PAUL (US) 2011-11-23 EP claimed
US-20110237794-A1 Spiro Compounds And Methods Of Use CHEN GUOQING PAUL 2011-09-29 US claimed
US-20070167470-A1 Spiro compounds and methods of use CHEN GUOQING P 2007-07-19 US claimed
US-11040028-B2 Penicinotam derivative, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-06-22 US disclosed
US-10993938-B2 Lactam compound, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-05-04 US disclosed
US-20210008045-A1 PANICINOTAM DERIVATIVE, PREPARATION METHOD AND USE THEREOF OCEAN UNIVERSITY OF CHINA (CN) 2021-01-14 US disclosed
US-20200030312-A1 Lactam Compound, Preparation Method and Use thereof OCEAN UNIVERSITY OF CHINA (CN) 2020-01-30 US disclosed
EP-3154957-B1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF HISTONE METHYLTRANSFERASES AND DNA METHYLTRANSFERASES FUNDACION PARA LA INVESTIG MEDICA APLICADA (ES) 2019-11-20 EP disclosed
EP-2875001-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO LTD (CN) 2019-01-09 EP disclosed
US-9434695-B2 Nitrogenous heterocyclic derivatives and their application in drugs SUNSHINE LAKE PHARMA CO., LTD (CN) 2016-09-06 US disclosed
EP-2875001-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS Sunshine Lake Pharma Co., Ltd. (CN) 2015-05-27 EP disclosed
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
US-20110237794-A1 Spiro Compounds And Methods Of Use CHEN GUOQING PAUL 2011-09-29 US disclosed
US-7977346-B2 Spiro compounds and methods of use CHEN GUOQING PAUL 2011-07-12 US disclosed
EP-1973407-A2 SPIRO COMPOUNDS AND METHODS OF USE Chen, Guoqing Paul (US) 2008-10-01 EP disclosed
WO-2007084875-A2 SPIRO COMPOUNDS AND METHODS OF USE CHEN GUOQING PAUL (US) 2007-07-26 WO disclosed
US-20070167470-A1 Spiro compounds and methods of use CHEN GUOQING P 2007-07-19 US disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
US-20050245592-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
US-20050004204-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 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 (8 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-20050245592-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 OPRM1 358/4885OPRL1 1512/4885ESRRB 3280/4885
US-20200030312-A1 Lactam Compound, Preparation Method and Use thereof FURIN, PEPD, PIN1 OPRM1 469/4885OPRL1 3020/4885ESRRB 4733/4885
US-10993938-B2 Lactam compound, preparation method and use thereof FURIN, PEPD, PIN1 OPRM1 469/4885OPRL1 3020/4885ESRRB 4733/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 OPRM1 358/4885OPRL1 1540/4885ESRRB 3300/4885
US-20110237794-A1 Spiro Compounds And Methods Of Use TEK, KDR, EGFR OPRM1 2371/4885OPRL1 965/4885ESRRB 157/4885
US-20070167470-A1 Spiro compounds and methods of use TEK, KDR, EGFR OPRM1 2371/4885OPRL1 965/4885ESRRB 157/4885
US-11040028-B2 Penicinotam derivative, preparation method and use thereof TPMT, MAPT, TLR4 OPRM1 355/4885OPRL1 3066/4885ESRRB 4078/4885
US-20210008045-A1 PANICINOTAM DERIVATIVE, PREPARATION METHOD AND USE THEREOF TPMT, PBRM1, PGM2 OPRM1 80/4885OPRL1 2074/4885ESRRB 4315/4885

“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.