SCHEMBL2133395

SCHEMBL2133395

O=C(c1ccccc1)N1CC[C@H](NC2CN(C(=O)c3sc4cc(C(F)(F)F)ccc4c3-c3ccccc3)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.42
MGLL Q99685 1/20 0.39
SMO Q99835 1/20 0.39
RIPK1 Q13546 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TEAD1 P28347 1/20 0.38
ESR1 P03372 1/20 0.38
SFRP1 Q8N474 1/20 0.38
ADAMTS7 Q9UKP4 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
EPHX1 P07099 1/20 0.38
MCHR1 Q99705 1/20 0.37
RBP4 P02753 1/20 0.37
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL2720147 1.00 CCR2 (0.42) CCR2MGLLSMORIPK1MEN1
SCHEMBL2135008 0.90 CCR2 (0.44) CCR2MGLLSMOMEN1KMT2A
SCHEMBL2132524 0.89 CCR2 (0.43) CCR2MGLLSMOMEN1KMT2A
SCHEMBL2134256 0.89 MGLL (0.51) CCR2MGLLMEN1KMT2ATEAD1
SCHEMBL2134023 0.88 CCR2 (0.46) CCR2MGLLSMORIPK1MEN1
SCHEMBL2131965 0.86 EPHX1 (0.44) SMOMEN1KMT2AEPHX1
SCHEMBL2131456 0.85 CCR2 (0.41) CCR2MGLLSMOMEN1KMT2A
SCHEMBL2733829 0.85 CCR2 (0.41) CCR2MGLLSMOMEN1KMT2A
SCHEMBL2132885 0.85 MCHR1 (0.41) CCR2SMOMEN1KMT2ATEAD1
SCHEMBL2130086 0.84 MGLL (0.43) CCR2MGLLRIPK1ADAMTS7ADAMTS5

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 CCR2 2148/4885MGLL 3/4885SMO 3856/4885
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL CCR2 2148/4885MGLL 3/4885SMO 3856/4885

“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.