SCHEMBL955271

SCHEMBL955271

Cc1coc([C@@H]2CCCN2)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.44
CHRM5 P08912 5/20 0.44
CHRM3 P20309 5/20 0.44
CHRM4 P08173 4/20 0.44
CHRM1 P11229 4/20 0.44
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL475667 1.00 CHRM2 (0.44) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL475670 1.00 CHRM2 (0.44) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL18815551 0.82 SCN10A (0.40) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL18815550 0.82 SCN10A (0.40) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL12900577 0.78 SLC6A2 (0.40) CHRNB2
SCHEMBL3657287 0.78 NR1H4 (0.36) CHRM5CHRM3CHRM1CYP1A2CYP2C9
SCHEMBL21163845 0.76 CHRM5 (0.38) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL670851 0.74 CHRM5 (0.37) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL13387580 0.74 CHRM5 (0.37) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL670852 0.74 CHRM5 (0.37) CHRM2CHRM5CHRM3CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 US disclosed
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
US-20150218146-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF ABBVIE DEUTSCHLAND (DE) 2015-08-06 US disclosed
US-20150218146-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF ABBVIE DEUTSCHLAND (DE) 2015-08-06 US disclosed
US-20150218146-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF ABBVIE DEUTSCHLAND (DE) 2015-08-06 US disclosed
US-9006276-B2 Substituted oxindole derivatives, medicaments containing said derivatives and use thereof AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-14 US disclosed
US-9006276-B2 Substituted oxindole derivatives, medicaments containing said derivatives and use thereof AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-14 US disclosed
US-9006276-B2 Substituted oxindole derivatives, medicaments containing said derivatives and use thereof AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-14 US disclosed
US-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
US-20130029966-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2013-01-31 US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
US-8044079-B2 Substituted oxindole derivatives, medicaments containing said derivatives and use thereof ABBOTT GMBH & CO. KG (DE) 2011-10-25 US disclosed
US-8044079-B2 Substituted oxindole derivatives, medicaments containing said derivatives and use thereof ABBOTT GMBH & CO. KG (DE) 2011-10-25 US disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
US-20100273766-A1 SUBSTITUTED OXINDOL DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2010-10-28 US disclosed
US-20100273766-A1 SUBSTITUTED OXINDOL DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2010-10-28 US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 WO disclosed
EP-1957480-A1 SUBSTITUTED OXINDOL-DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF Abbott GmbH & Co. KG (DE) 2008-08-20 EP disclosed
WO-2007063123-A1 SUBSTITUTED OXINDOL-DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2007-06-07 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 (5 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-20130029966-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF AVPR2, AVPR1B, AVPR1A CHRM2 462/4885CHRM5 484/4885CHRM3 815/4885
US-20150218146-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF AVPR2, AVPR1B, AVPR1A CHRM2 462/4885CHRM5 484/4885CHRM3 815/4885
US-20100273766-A1 SUBSTITUTED OXINDOL DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF AVPR2, AVPR1B, AVPR1A CHRM2 378/4885CHRM5 480/4885CHRM3 621/4885
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 CHRM2 161/4885CHRM5 246/4885CHRM3 406/4885
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR CHRM2 237/4885CHRM5 292/4885CHRM3 251/4885

“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.