SCHEMBL2133340

SCHEMBL2133340

O=C(c1ccccc1)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 1/20 0.45
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
MCHR1 Q99705 3/20 0.41
ADAMTS7 Q9UKP4 3/20 0.40
ADAMTS5 Q9UNA0 3/20 0.40
CYP2D6 P10635 2/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP1 P03956 1/20 0.40
ADAM17 P78536 1/20 0.40
ADAMTS1 Q9UHI8 1/20 0.40
PRSS12 P56730 3/20 0.40
SMO Q99835 1/20 0.40
CCR2 P41597 3/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL2130086 0.94 MGLL (0.43) MGLLALDH1A1LMNARECQLADAMTS7
SCHEMBL2134256 0.93 MGLL (0.51) MGLLALDH1A1LMNARECQLCYP2D6
SCHEMBL2133756 0.92 ALDH1A1 (0.44) MGLLALDH1A1LMNARECQLCYP2D6
SCHEMBL2132885 0.91 MCHR1 (0.41) DRD2DRD4MCHR1ADAMTS7ADAMTS5
SCHEMBL2731777 0.86 MCHR1 (0.41) DRD2DRD4MCHR1ADAMTS7ADAMTS5
SCHEMBL2131179 0.86 MCHR1 (0.41) DRD2DRD4MCHR1ADAMTS7ADAMTS5
SCHEMBL2731884 0.85 ALDH1A1 (0.58) ALDH1A1LMNARECQLCYP2D6PRSS12
SCHEMBL2131807 0.85 ALDH1A1 (0.58) ALDH1A1LMNARECQLCYP2D6PRSS12
SCHEMBL2133254 0.85 MCHR1 (0.42) DRD2DRD4MCHR1ADAMTS7ADAMTS5
SCHEMBL2132272 0.85 MGLL (0.45) MGLLALDH1A1LMNARECQLMCHR1

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 MGLL 3/4885ALDH1A1 552/4885LMNA 1887/4885
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL MGLL 3/4885ALDH1A1 552/4885LMNA 1887/4885

“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.