SCHEMBL734668

SCHEMBL734668

Cc1c(C2=CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccncc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.45
OPRL1 P41146 13/20 0.45
HTR6 P50406 1/20 0.39
OGFRL1 Q5TC84 5/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ACHE P22303 1/20 0.37
OPRK1 P41145 3/20 0.37
OPRD1 P41143 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GMNN O75496 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NR3C1 P04150 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
LCK P06239 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
SCHEMBL734169 0.88 OPRM1 (0.57) OPRM1OPRL1OGFRL1OPRK1OPRD1
SCHEMBL734100 0.84 OPRM1 (0.40) OPRM1OPRL1OGFRL1OPRK1OPRD1
SCHEMBL733983 0.81 OPRM1 (0.61) OPRM1OPRL1OGFRL1OPRK1OPRD1
SCHEMBL734296 0.79 OPRM1 (0.50) OPRM1OPRL1HTR6OGFRL1KDM4E
SCHEMBL734144 0.78 OPRM1 (0.43) OPRM1OPRL1OGFRL1OPRK1OPRD1
SCHEMBL733086 0.78 OPRM1 (0.45) OPRM1OPRL1OGFRL1MEN1KMT2A
SCHEMBL734725 0.78 OPRM1 (0.41) OPRM1OPRL1HTR6OGFRL1OPRK1
SCHEMBL735507 0.77 OPRM1 (0.57) OPRM1OPRL1OGFRL1OPRK1OPRD1
SCHEMBL734201 0.76 OPRM1 (0.43) OPRM1OPRL1OGFRL1OPRK1OPRD1
SCHEMBL735821 0.75 OPRM1 (0.45) OPRM1OPRL1OGFRL1OPRK1OPRD1

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 3 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

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 1562/4885HTR6 254/4885

“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.