SCHEMBL735452

SCHEMBL735452

CN(C)C1(c2ccccc2)CC=C(c2cc3cccnc3[nH]2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 18/20 0.41
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
RET P07949 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
SCHEMBL735186 0.82 RAB9A (0.41) OPRM1OPRK1OPRL1
SCHEMBL734100 0.77 OPRM1 (0.40) OPRM1OPRK1OPRL1
SCHEMBL733287 0.76 TMEM97 (0.45) CCNB2CDK1CCNB1CCNB3OPRM1
SCHEMBL3930943 0.74 DYRK1A (0.42) CCNB2CDK1CCNB1CCNB3OPRM1
SCHEMBL734179 0.72 OPRM1 (0.37) OPRM1OPRL1
SCHEMBL2085349 0.70 RIPK1 (0.50) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL735024 0.68 OPRM1 (0.41) OPRM1OPRK1OPRL1
SCHEMBL734668 0.67 OPRM1 (0.45) OPRM1OPRK1OPRL1
SCHEMBL734275 0.67 OPRM1 (0.39) OPRM1OPRK1OPRL1
SCHEMBL734169 0.66 OPRM1 (0.57) OPRM1OPRK1OPRL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RIPK1 4392/4885CCNB2 1406/4885CDK1 3480/4885

“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.