SCHEMBL2131179

SCHEMBL2131179

O=C(c1ccccc1)N1CC[C@H](NC2CN(C(=O)c3sc4ccc(-c5ccc(C(F)(F)F)cc5)cc4c3F)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.41
TEAD1 P28347 1/20 0.41
ADAMTS7 Q9UKP4 3/20 0.41
ADAMTS5 Q9UNA0 3/20 0.41
CYP2D6 P10635 3/20 0.41
ADAMTS4 O75173 1/20 0.41
MMP1 P03956 1/20 0.41
ADAM17 P78536 1/20 0.41
ADAMTS1 Q9UHI8 1/20 0.41
SMO Q99835 1/20 0.40
CCR2 P41597 3/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
SFRP1 Q8N474 1/20 0.39
PIK3CD O00329 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL2731777 1.00 MCHR1 (0.41) MCHR1TEAD1ADAMTS7ADAMTS5CYP2D6
SCHEMBL2132885 0.93 MCHR1 (0.41) MCHR1TEAD1ADAMTS7ADAMTS5CYP2D6
SCHEMBL2129161 0.93 PIK3CD (0.41) PIK3CD
SCHEMBL2133254 0.91 MCHR1 (0.42) MCHR1TEAD1ADAMTS7ADAMTS5CYP2D6
SCHEMBL2135008 0.88 CCR2 (0.44) TEAD1SMOCCR2SFRP1
SCHEMBL2133340 0.86 MGLL (0.45) MCHR1TEAD1ADAMTS7ADAMTS5CYP2D6
SCHEMBL2130096 0.85 CYP3A4 (0.40) MCHR1CYP2D6CCR2
SCHEMBL2130873 0.85 MGLL (0.49) MCHR1TEAD1CYP2D6CCR2
SCHEMBL2136227 0.85 ADAMTS7 (0.43) ADAMTS7ADAMTS5SMOCCR2
SCHEMBL2731835 0.84 MCHR1 (0.54) MCHR1TEAD1ADAMTS7ADAMTS5CYP2D6

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 12 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
EP-2630139-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-28 EP 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
WO-2012054721-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICAL NV (BE) 2012-04-26 WO 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
EP-2630139-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-28 EP 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
WO-2012054721-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICAL NV (BE) 2012-04-26 WO 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 MCHR1 2133/4885TEAD1 3670/4885ADAMTS7 3352/4885
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL MCHR1 2133/4885TEAD1 3670/4885ADAMTS7 3352/4885

“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.