SCHEMBL2132272

SCHEMBL2132272

O=C(c1nccs1)N1CC[C@H](NC2CN(C(=O)c3sc4cc(-c5ccc(C(F)(F)F)cc5)ccc4c3Cl)C2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.45
CYP3A4 P08684 5/20 0.40
CYP2C9 P11712 2/20 0.40
RBP4 P02753 1/20 0.39
CCR2 P41597 3/20 0.38
MCHR1 Q99705 4/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP2D6 P10635 3/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
OPRK1 P41145 1/20 0.35
RAB9A P51151 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
SCHEMBL2132045 0.94 MGLL (0.51) MGLLCYP3A4CYP2C9RBP4CCR2
SCHEMBL2131757 0.93 MGLL (0.44) MGLLCYP3A4CYP2C9RBP4CCR2
SCHEMBL2131736 0.92 CYP3A4 (0.40) MGLLCYP3A4CYP2C9RBP4CCR2
SCHEMBL2733853 0.92 CYP3A4 (0.40) MGLLCYP3A4CYP2C9RBP4CCR2
SCHEMBL2131629 0.91 CYP3A4 (0.48) MGLLCYP3A4CYP2C9RBP4ALDH1A1
SCHEMBL2130096 0.87 CYP3A4 (0.40) MGLLCYP3A4CYP2C9RBP4CCR2
SCHEMBL2131985 0.86 CYP3A4 (0.43) CYP3A4CYP2C9RBP4CCR2MCHR1
SCHEMBL2131810 0.85 CYP3A4 (0.47) MGLLCYP3A4CYP2C9RBP4CCR2
SCHEMBL2133340 0.85 MGLL (0.45) MGLLCYP3A4CCR2MCHR1ALDH1A1
SCHEMBL2131995 0.85 ALDH1A1 (0.40) MGLLCYP3A4CYP2C9RBP4ALDH1A1

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 MGLL 3/4885CYP3A4 2393/4885CYP2C9 592/4885
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL MGLL 3/4885CYP3A4 2393/4885CYP2C9 592/4885

“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.