SCHEMBL2131702

SCHEMBL2131702

O=C(c1ccc2c(-c3cccc(C(F)(F)F)c3)c[nH]c2c1)N1CC(N[C@H]2CCN(C(=O)c3nccs3)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.43
CCNK O75909 11/20 0.42
CDK12 Q9NYV4 11/20 0.42
CCNE1 P24864 7/20 0.41
CDK2 P24941 7/20 0.41
CCNT1 O60563 5/20 0.41
CDK9 P50750 5/20 0.41
CDK7 P50613 4/20 0.41
CCNH P51946 4/20 0.41
MNAT1 P51948 4/20 0.41
GHSR Q92847 1/20 0.40
RBP4 P02753 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
EIF4A3 P38919 1/20 0.38
SYK P43405 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
SCHEMBL2130431 0.92 CCNK (0.44) CCR2CCNKCDK12CCNE1CDK2
SCHEMBL2131314 0.91 TDO2 (0.41) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL2131011 0.90 CYP3A4 (0.45) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL2721791 0.87 GHSR (0.46) CCR2CCNKCDK12CCNE1CDK2
SCHEMBL2130604 0.87 GHSR (0.46) CCR2CCNKCDK12CCNE1CDK2
SCHEMBL2131355 0.87 TDO2 (0.47) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL699289 0.86 MGLL (0.52) GHSR
SCHEMBL2131952 0.86 CCNK (0.41) CCR2CCNKCDK12CCNE1CDK2
SCHEMBL2130865 0.86 SLC6A7 (0.52) CCR2GHSRRBP4CYP3A4CYP2C9
SCHEMBL2133256 0.85 SCN9A (0.48) CCR2RBP4CYP3A4CYP2C9

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 CCR2 2148/4885CCNK 4526/4885CDK12 4660/4885
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL CCR2 2148/4885CCNK 4526/4885CDK12 4660/4885

“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.