SCHEMBL734291

SCHEMBL734291

Cc1c(C2CCC(c3cccc(F)c3)(N(C)C)CC2)[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 19/20 0.61
OPRL1 P41146 13/20 0.61
OGFRL1 Q5TC84 7/20 0.52
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
CHRNA1 P02708 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
SLC6A4 P31645 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL734739 0.87 OPRM1 (0.64) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL735967 0.85 OPRM1 (0.68) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL3407050 0.81 OPRM1 (0.80) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL733179 0.80 OPRM1 (0.45) OPRM1OPRL1OGFRL1
SCHEMBL3411311 0.78 OPRM1 (0.74) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL15642831 0.78 OPRM1 (0.74) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL733630 0.77 OPRM1 (0.47) OPRM1OPRL1OGFRL1
SCHEMBL3413561 0.77 OPRM1 (0.66) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL3411382 0.77 OPRM1 (0.77) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL735337 0.76 OPRM1 (0.51) OPRM1OPRL1OGFRL1OPRK1

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 1562/4885OGFRL1 4373/4885

“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.