SCHEMBL2131985

SCHEMBL2131985

Cc1c(C(=O)N2CC(N[C@H]3CCN(C(=O)c4nccs4)C3)C2)sc2ccc(-c3ccc(C(F)(F)F)cc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.43
RBP4 P02753 1/20 0.39
MCHR1 Q99705 6/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2D6 P10635 2/20 0.38
CCR2 P41597 3/20 0.38
PROKR1 Q8TCW9 1/20 0.35
SYK P43405 4/20 0.35
TYRO3 Q06418 1/20 0.34
KCNH2 Q12809 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
SCHEMBL2131690 0.93 CYP3A4 (0.43) CYP3A4RBP4CYP2C9CCR2SYK
SCHEMBL2130096 0.92 CYP3A4 (0.40) CYP3A4RBP4MCHR1CYP2C9CYP2D6
SCHEMBL2130543 0.91 CYP3A4 (0.52) CYP3A4RBP4CYP2C9SYK
SCHEMBL2733853 0.87 CYP3A4 (0.40) CYP3A4RBP4MCHR1CYP2C9CYP2D6
SCHEMBL2131736 0.87 CYP3A4 (0.40) CYP3A4RBP4MCHR1CYP2C9CYP2D6
SCHEMBL2132272 0.86 MGLL (0.45) CYP3A4RBP4MCHR1CYP2C9CYP2D6
SCHEMBL2133254 0.85 MCHR1 (0.42) MCHR1CYP2D6CCR2SYK
SCHEMBL2130694 0.85 CYP3A4 (0.44) CYP3A4RBP4CYP2C9PROKR1SYK
SCHEMBL2136270 0.83 CYP3A4 (0.48) CYP3A4RBP4CYP2C9
SCHEMBL2132009 0.83 MCHR1 (0.47) CYP3A4RBP4MCHR1CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748417-B2 Amino-pyrrolidine-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2014-06-10 US claimed
US-8575363-B2 Amino-pyrrolidine-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-11-05 US claimed
US-20130196970-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US claimed
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2012-04-26 US claimed
US-8748417-B2 Amino-pyrrolidine-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2014-06-10 US disclosed
US-8575363-B2 Amino-pyrrolidine-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-11-05 US disclosed
US-20130196970-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2012-04-26 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 (2 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-20130196970-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL CYP3A4 2393/4885RBP4 3161/4885MCHR1 2133/4885
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL CYP3A4 2393/4885RBP4 3161/4885MCHR1 2133/4885

“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.