SCHEMBL735186

SCHEMBL735186

CN(C)C1(c2ccccc2)CC=C(c2cc3ccccc3[nH]2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
OPRM1 P35372 14/20 0.41
OPRL1 P41146 12/20 0.41
OPRK1 P41145 4/20 0.41
OGFRL1 Q5TC84 4/20 0.38
OPRD1 P41143 2/20 0.37
APP P05067 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL735452 0.82 RIPK1 (0.41) OPRM1OPRL1OPRK1
SCHEMBL3939339 0.77 OPRM1 (0.40) RAB9ANPC1OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL736415 0.76 OPRM1 (0.40) RAB9ANPC1OPRM1OPRL1OPRK1
SCHEMBL734169 0.75 OPRM1 (0.57) OPRM1OPRL1OPRK1OGFRL1OPRD1
SCHEMBL733637 0.72 SLC6A4 (0.51) RAB9ANPC1OPRM1OPRL1OPRK1
SCHEMBL3930989 0.71 OPRM1 (0.44) OPRM1OPRL1OPRK1OGFRL1OPRD1
SCHEMBL14110424 0.71 OPRM1 (0.44) OPRM1OPRL1OPRK1OGFRL1OPRD1
SCHEMBL735821 0.71 OPRM1 (0.45) OPRM1OPRL1OPRK1OGFRL1OPRD1
Hydrochloric Acid SCHEMBL735734 0.71 OPRM1 (0.44) OPRM1OPRL1OPRK1OGFRL1OPRD1
SCHEMBL735512 0.71 OPRM1 (0.44) OPRM1OPRL1OPRK1OGFRL1OPRD1

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 RAB9A 3677/4885NPC1 146/4885OPRM1 1029/4885

“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.