SCHEMBL733673

SCHEMBL733673

CCCCC1(N(C)C)CC=C(c2[nH]c3ccccc3c2CCc2ccncc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.36
FNTB P49356 4/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
DRD2 P14416 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL733728 0.88 HTR2A (0.39) MEN1KMT2AATMHTR2AHTR2C
SCHEMBL733852 0.88 OPRM1 (0.41) FNTAFNTBHTR2AHTR2COPRM1
SCHEMBL733994 0.84 KDM4E (0.45) MEN1KMT2AATMHTR2AHTR2C
SCHEMBL734449 0.84 OPRM1 (0.42) MEN1KMT2AATMSIGMAR1HTR2A
SCHEMBL735199 0.82 SIGMAR1 (0.36) FNTAFNTBMEN1KMT2AATM
SCHEMBL14110506 0.81 OPRM1 (0.36) KMT2ASIGMAR1HTR2AHTR2COPRM1
SCHEMBL734725 0.81 OPRM1 (0.41) FNTAFNTBHTR2AHTR2COPRM1
SCHEMBL734534 0.81 OPRM1 (0.39) MEN1KMT2AATMHTR2AHTR2C
SCHEMBL1119605 0.81 OPRM1 (0.40) FNTAFNTBOPRM1OPRL1
SCHEMBL1119636 0.79 MAPT (0.42) MEN1KMT2AHTR2AHTR2CDRD2

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 claimed
US-8138187-B2 Substituted heteroaryl derivatives GRUENENTHAL GMBH (DE) 2012-03-20 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 FNTA 10/4885FNTB 454/4885MEN1 2253/4885

“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.