SCHEMBL2137397

SCHEMBL2137397

Cc1c(C(=O)N2CC(N[C@H]3CCN(C(=O)c4ccccc4)C3)C2)sc2cc(F)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ATM Q13315 1/20 0.41
CES2 O00748 1/20 0.41
GFER P55789 1/20 0.40
EPHX1 P07099 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
HSD11B1 P28845 1/20 0.40
CHRM4 P08173 1/20 0.39
KDM5A P29375 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
SLC18A3 Q16572 1/20 0.38
KMT2A Q03164 1/20 0.38
NOS3 P29474 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
SCHEMBL2731884 0.89 ALDH1A1 (0.58) LMNAALDH1A1RECQLRAB9ANPC1
SCHEMBL2131807 0.89 ALDH1A1 (0.58) LMNAALDH1A1RECQLRAB9ANPC1
SCHEMBL2143188 0.88 EPHX1 (0.44) RAB9ANPC1CES2EPHX1PIK3CD
SCHEMBL2133028 0.88 EPHX1 (0.44) RAB9ANPC1CES2EPHX1PIK3CD
SCHEMBL2132524 0.88 CCR2 (0.43) CES2EPHX1KDM5AKMT2A
SCHEMBL2132126 0.88 ALDH1A1 (0.43) LMNAALDH1A1RECQLRAB9ANPC1
SCHEMBL2733650 0.88 HSD11B1 (0.42) RAB9ANPC1ATMEPHX1PIK3CD
SCHEMBL2132159 0.88 HSD11B1 (0.42) RAB9ANPC1ATMEPHX1PIK3CD
SCHEMBL2130591 0.86 RAB9A (0.44) LMNAALDH1A1RECQLRAB9ANPC1
SCHEMBL2133298 0.86 PIK3CD (0.41) LMNAALDH1A1RAB9AGFEREPHX1

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 LMNA 1887/4885ALDH1A1 552/4885RECQL 345/4885
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL LMNA 1887/4885ALDH1A1 552/4885RECQL 345/4885

“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.