SCHEMBL734534

SCHEMBL734534

CCCCC1(N(C)C)CC=C(c2[nH]c3ccccc3c2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.39
OPRL1 P41146 3/20 0.39
RAB9A P51151 3/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 5/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR1A P08908 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 3/20 0.33
UTS2R Q9UKP6 1/20 0.33
AHR P35869 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
POLB P06746 1/20 0.33

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) OPRM1OPRL1RAB9AMEN1KMT2A
SCHEMBL733994 0.86 KDM4E (0.45) OPRM1OPRL1MEN1KMT2AATM
SCHEMBL735401 0.86 OPRM1 (0.39) OPRM1OPRL1MEN1KMT2AKDM4E
SCHEMBL734449 0.86 OPRM1 (0.42) OPRM1OPRL1MEN1KMT2AATM
SCHEMBL734134 0.85 HTR2A (0.39) OPRM1OPRL1RAB9AMEN1KMT2A
SCHEMBL734337 0.84 ALOX5 (0.41) RAB9AMEN1KMT2AKDM4ETSHR
SCHEMBL733907 0.84 MEN1 (0.38) MEN1KMT2AHTR2AHTR2C
SCHEMBL735115 0.84 MEN1 (0.37) MEN1KMT2A
SCHEMBL735918 0.83 OPRM1 (0.47) OPRM1OPRL1MEN1KMT2AKDM4E
SCHEMBL14110550 0.81 BCHE (0.41) OPRM1OPRL1MEN1KMT2AATM

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 1562/4885RAB9A 3677/4885

“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.