SCHEMBL2610258

SCHEMBL2610258

CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2nccs2)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.53
ADORA2B P29275 5/20 0.53
ADORA3 P0DMS8 2/20 0.51
CFTR P13569 1/20 0.49
PARP1 P09874 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HSD11B1 P28845 2/20 0.47
CYP2C9 P11712 1/20 0.47
CTSK P43235 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP3A4 P08684 2/20 0.45
RBP4 P02753 1/20 0.43
USP30 Q70CQ3 2/20 0.43

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
SCHEMBL2618734 0.85 PARP1 (0.46) ADORA2AADORA2BADORA3PARP1CYP3A4
SCHEMBL2134194 0.82 CYP3A4 (0.52) ADORA2BCYP2C9CYP3A4RBP4
SCHEMBL973857 0.80 HPGD (0.50) ADORA2AADORA2BCTSK
SCHEMBL6843158 0.78 RBP4 (0.50) ADORA2AADORA2BRBP4
SCHEMBL14408025 0.78 CYP2D6 (0.49) ADORA2AADORA2BCFTRHDAC3HDAC1
SCHEMBL4076698 0.78 PARP1 (0.55) ADORA2AADORA2BADORA3CFTRPARP1
SCHEMBL4892745 0.77 HPGD (0.58) ADORA2AADORA2BPARP1CTSK
SCHEMBL10175836 0.76 GPR119 (0.53) RBP4
SCHEMBL16334091 0.76 USP30 (0.55) ADORA2AADORA2BADORA3PARP1CA1
SCHEMBL16337990 0.76 USP30 (0.55) ADORA2AADORA2BADORA3PARP1CA1

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 9 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 disclosed
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
US-8575363-B2 Amino-pyrrolidine-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-11-05 US disclosed
US-20130196970-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US 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
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 ADORA2A 950/4885ADORA2B 821/4885ADORA3 1785/4885
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL ADORA2A 950/4885ADORA2B 821/4885ADORA3 1785/4885

“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.