SCHEMBL733852

SCHEMBL733852

CN(C)C1(Cc2ccccc2)CC=C(c2[nH]c3ccccc3c2CCc2ccncc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
FNTA P49354 8/20 0.37
FNTB P49356 8/20 0.37
HTR6 P50406 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL14110506 0.92 OPRM1 (0.36) OPRM1OGFRL1HTR2AHTR2C
SCHEMBL733673 0.88 FNTA (0.36) OPRM1FNTAFNTBHTR6HTR2A
SCHEMBL734660 0.87 OPRM1 (0.44) OPRM1OGFRL1HTR2AHTR2C
SCHEMBL3932517 0.86 OPRM1 (0.47) OPRM1OGFRL1HTR2AHTR2C
SCHEMBL736123 0.85 POLB (0.45) OPRM1OGFRL1HTR6HTR2AHTR2C
Hydrochloric Acid SCHEMBL734199 0.85 OPRM1 (0.46) OPRM1OGFRL1HTR2AHTR2C
SCHEMBL734725 0.83 OPRM1 (0.41) OPRM1OGFRL1FNTAFNTBHTR6
SCHEMBL734577 0.83 EGFR (0.46) OPRM1OGFRL1HTR2AHTR2C
SCHEMBL735918 0.80 OPRM1 (0.47) OPRM1OGFRL1HTR6HTR2AHTR2C
SCHEMBL1119606 0.79 OPRM1 (0.52) OPRM1OGFRL1FNTAFNTB

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 1029/4885OGFRL1 4373/4885FNTA 10/4885

“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.