SCHEMBL2131995

SCHEMBL2131995

O=C(c1nccs1)N1CC[C@H](NC2CN(C(=O)c3sc4cc(Br)ccc4c3Cl)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
CYP3A4 P08684 5/20 0.40
HPGD P15428 5/20 0.40
MAPT P10636 4/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 2/20 0.40
LMNA P02545 5/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
KDM4E B2RXH2 2/20 0.39
OPRK1 P41145 1/20 0.39
MGLL Q99685 2/20 0.37
RECQL P46063 1/20 0.35
RBP4 P02753 1/20 0.35
HTT P42858 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
SCHEMBL2132045 0.88 MGLL (0.51) ALDH1A1CYP3A4HPGDMAPTKMT2A
SCHEMBL2131629 0.88 CYP3A4 (0.48) ALDH1A1CYP3A4HPGDMAPTKMT2A
SCHEMBL2132272 0.85 MGLL (0.45) ALDH1A1CYP3A4HPGDMAPTKMT2A
SCHEMBL697705 0.83 MGLL (0.53) ALDH1A1HPGDMAPTKMT2ALMNA
SCHEMBL2134242 0.83 ALDH1A1 (0.44) ALDH1A1CYP3A4HPGDMAPTKMT2A
SCHEMBL2131757 0.83 MGLL (0.44) CYP3A4CYP2C9MGLLRBP4
SCHEMBL2129519 0.83 MGLL (0.55) ALDH1A1CYP3A4HPGDMAPTKMT2A
SCHEMBL2131925 0.82 CYP3A4 (0.43) CYP3A4KMT2AMEN1CYP2C9RAB9A
SCHEMBL2130476 0.81 CYP3A4 (0.41) ALDH1A1CYP3A4HPGDMAPTKMT2A
SCHEMBL2142714 0.80 MEN1 (0.44) ALDH1A1CYP3A4KMT2AMEN1CYP2C9

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 10 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
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 ALDH1A1 552/4885CYP3A4 2393/4885HPGD 1129/4885
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL ALDH1A1 552/4885CYP3A4 2393/4885HPGD 1129/4885

“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.