SCHEMBL2129559

SCHEMBL2129559

O=C(c1ccc(-c2ccccc2)cc1)N1CC(N[C@H]2CCN(C(=O)c3ccccc3)C2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 1/20 0.55
LMNA P02545 3/20 0.54
HPGD P15428 2/20 0.54
MAPK1 P28482 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TSHR P16473 1/20 0.53
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
POLB P06746 3/20 0.52
FASN P49327 1/20 0.51
MGLL Q99685 2/20 0.51
HSD11B1 P28845 1/20 0.51
HTR1A P08908 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51

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
SCHEMBL2132004 0.93 SMN1; SMN2 (0.54) EPHX1SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL2130059 0.92 HSD11B1 (0.62) EPHX1SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL2130909 0.90 MGLL (0.60) EPHX1SMN1; SMN2ALDH1A1PTPN2PTPN1
SCHEMBL2134021 0.90 ABL1 (0.53) SMN1; SMN2ALDH1A1HPGDMAPK1MEN1
SCHEMBL2131338 0.89 MGLL (0.50) EPHX1SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL2731835 0.89 MCHR1 (0.54) EPHX1MEN1KMT2AHSD11B1
SCHEMBL2131274 0.89 MCHR1 (0.54) EPHX1MEN1KMT2AHSD11B1
SCHEMBL2133223 0.88 MGLL (0.47) EPHX1SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL2721726 0.87 ADAMTS7 (0.54) MGLLHSD11B1
SCHEMBL2132024 0.87 ADAMTS7 (0.54) MGLLHSD11B1

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 EPHX1 846/4885SMN1; SMN2 1754/4885ALDH1A1 552/4885
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL EPHX1 846/4885SMN1; SMN2 1754/4885ALDH1A1 552/4885

“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.