SCHEMBL733645

SCHEMBL733645

CN(C)C1(c2ccccc2)CC=C(c2[nH]c3ccc(F)cc3c2CCn2cnc3ccccc32)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.40
OPRL1 P41146 6/20 0.40
OGFRL1 Q5TC84 5/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TACR1 P25103 1/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL734715 0.91 HTT (0.39) OPRM1OPRL1OGFRL1HTTMAPT
SCHEMBL733171 0.87 HTT (0.38) OPRM1OGFRL1HTTNPC1RAB9A
SCHEMBL734232 0.85 DRD2 (0.33) HTTNPC1RAB9ATACR1MAPT
SCHEMBL733706 0.83 OPRM1 (0.47) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL735906 0.83 OPRM1 (0.41) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL735995 0.82 OPRM1 (0.46) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL736246 0.82 OPRM1 (0.42) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL734726 0.82 OPRM1 (0.48) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL735790 0.81 OPRM1 (0.41) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL735896 0.80 OPRM1 (0.44) OPRM1OPRL1OGFRL1OPRD1OPRK1

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 6 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-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

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.