SCHEMBL733702

SCHEMBL733702

Cc1c2cc(F)ccc2[nH]c1[C@H]1CC[C@](Cc2ccccc2)(N(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.47
OPRL1 P41146 6/20 0.47
HTR2A P28223 6/20 0.41
HTR2C P28335 5/20 0.40
OGFRL1 Q5TC84 4/20 0.40
OPRK1 P41145 2/20 0.38
SIGMAR1 Q99720 2/20 0.37
OPRD1 P41143 1/20 0.36
ACHE P22303 1/20 0.35
BRD3 Q15059 1/20 0.35

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
SCHEMBL733701 1.00 OPRM1 (0.47) OPRM1OPRL1HTR2AHTR2COGFRL1
SCHEMBL734388 0.87 HTR2A (0.42) OPRM1OPRL1HTR2AHTR2COGFRL1
SCHEMBL734186 0.87 OPRM1 (0.43) OPRM1OGFRL1SIGMAR1
SCHEMBL733191 0.87 OPRM1 (0.49) OPRM1OPRL1HTR2AHTR2COGFRL1
SCHEMBL734260 0.85 MEN1 (0.48) OPRM1OPRL1OGFRL1ACHE
SCHEMBL734767 0.85 SLC6A4 (0.43) OPRM1OPRL1HTR2AOGFRL1OPRK1
SCHEMBL735113 0.84 S1PR1 (0.38) OPRM1OPRL1OGFRL1OPRK1
SCHEMBL733772 0.82 OPRM1 (0.41) OPRM1OPRL1HTR2AHTR2CBRD3
SCHEMBL735967 0.81 OPRM1 (0.68) OPRM1OPRL1HTR2AHTR2COGFRL1
SCHEMBL734086 0.81 MPO (0.39) OPRM1OPRL1HTR2AHTR2CSIGMAR1

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 5 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 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 1562/4885HTR2A 238/4885

“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.