SCHEMBL2132009

SCHEMBL2132009

O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CC(N[C@H]2CCN(C(=O)c3nccs3)C2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.47
RBP4 P02753 1/20 0.47
CYP2D6 P10635 1/20 0.47
SLC6A7 Q99884 1/20 0.46
TEAD1 P28347 1/20 0.45
CYP3A4 P08684 3/20 0.44
KCNH2 Q12809 2/20 0.44
CCR2 P41597 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SYK P43405 1/20 0.42
PROKR1 Q8TCW9 1/20 0.42
PDE2A O00408 1/20 0.41
PDE3A Q14432 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD11B1 P28845 1/20 0.41
MGLL Q99685 1/20 0.40

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
SCHEMBL2130865 0.91 SLC6A7 (0.52) RBP4SLC6A7CYP3A4KCNH2CCR2
SCHEMBL2131175 0.88 CYP3A4 (0.55) RBP4SLC6A7CYP3A4CYP2C9MGLL
SCHEMBL2133719 0.86 MAPK7 (0.41) MCHR1RBP4CYP2D6SLC6A7CYP3A4
SCHEMBL2130431 0.86 CCNK (0.44) RBP4CCR2SYKPROKR1
SCHEMBL2131585 0.85 SCN5A (0.49) MCHR1RBP4CYP2D6CYP3A4KCNH2
SCHEMBL2129853 0.85 RBP4 (0.43) MCHR1RBP4CYP2D6CYP3A4KCNH2
SCHEMBL2130487 0.84 MGLL (0.62) RBP4CYP3A4CCR2PROKR1MGLL
SCHEMBL2131736 0.83 CYP3A4 (0.40) MCHR1RBP4CYP2D6CYP3A4KCNH2
SCHEMBL2733853 0.83 CYP3A4 (0.40) MCHR1RBP4CYP2D6CYP3A4KCNH2
SCHEMBL2130096 0.83 CYP3A4 (0.40) MCHR1RBP4CYP2D6CYP3A4KCNH2

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 MCHR1 2133/4885RBP4 3161/4885CYP2D6 1064/4885
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL MCHR1 2133/4885RBP4 3161/4885CYP2D6 1064/4885

“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.