SCHEMBL735958

SCHEMBL735958

CN(C)C1(c2ccccc2)CCC(c2[nH]c3ccccc3c2CCN2Cc3ccccc3C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.43
OPRL1 P41146 13/20 0.43
SIGMAR1 Q99720 1/20 0.41
OGFRL1 Q5TC84 4/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 1/20 0.38
OPRD1 P41143 1/20 0.37
OPRK1 P41145 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
SCHEMBL734306 0.93 KDM4E (0.46) OPRM1OPRL1SIGMAR1KDM4EGAA
SCHEMBL735036 0.90 OPRL1 (0.45) OPRM1OPRL1OGFRL1HTR2AHTR2C
SCHEMBL735200 0.89 HTR2A (0.51) OPRM1OPRL1SIGMAR1HTR2AHTR2C
SCHEMBL734919 0.88 HTR2A (0.52) OPRM1OPRL1SIGMAR1HTR2AHTR2C
SCHEMBL736297 0.86 OPRL1 (0.48) OPRM1OPRL1OGFRL1HTR2AHTR2C
SCHEMBL734759 0.85 OPRM1 (0.43) OPRM1OPRL1OGFRL1HTR2AHTR2C
SCHEMBL735389 0.84 OPRM1 (0.48) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL735957 0.84 OPRL1 (0.45) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL735736 0.83 OPRM1 (0.45) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL734234 0.83 OPRL1 (0.43) OPRM1OPRL1OGFRL1MAPTKMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044016-B1 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM GRUENENTHAL GMBH (DE) 2012-12-05 EP claimed
US-8138187-B2 Substituted heteroaryl derivatives GRUENENTHAL GMBH (DE) 2012-03-20 US claimed
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 US claimed
EP-2044016-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2009-04-08 EP claimed
WO-2008009415-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2008-01-24 WO claimed
EP-2044016-B1 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM GRUENENTHAL GMBH (DE) 2012-12-05 EP disclosed
US-8138187-B2 Substituted heteroaryl derivatives GRUENENTHAL GMBH (DE) 2012-03-20 US disclosed
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 US disclosed
EP-2044016-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2009-04-08 EP disclosed
WO-2008009415-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2008-01-24 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 (1 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-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES CYP3A43, HMGCR, ABCG2 OPRM1 1029/4885OPRL1 1562/4885SIGMAR1 873/4885

“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.