SCHEMBL2134229

SCHEMBL2134229

Cn1nc(-c2ccccc2)c2cc(C(=O)N3CC(N[C@H]4CCN(C(=O)c5nccs5)C4)C3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
MGLL Q99685 8/20 0.43
SMO Q99835 1/20 0.42
CYP2C9 P11712 1/20 0.39
FAAH O00519 1/20 0.39
CTSA P10619 1/20 0.39
KDM1A O60341 1/20 0.38
RBP4 P02753 1/20 0.37
HPGD P15428 1/20 0.37
PDE4B Q07343 1/20 0.36
KHK P50053 1/20 0.36
SLC6A7 Q99884 1/20 0.36

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
SCHEMBL2129875 0.92 MGLL (0.46) CYP3A4MGLLCYP2C9FAAHKDM1A
SCHEMBL2130900 0.92 MGLL (0.41) CYP3A4MGLLCYP2C9FAAHCTSA
SCHEMBL2133389 0.88 HPGD (0.42) SMOKDM1AHPGDPDE4BKHK
SCHEMBL2131679 0.85 MGLL (0.44) MGLLKDM1AHPGDPDE4BKHK
SCHEMBL697308 0.85 MGLL (0.61) MGLLSMOFAAH
SCHEMBL2131175 0.83 CYP3A4 (0.55) CYP3A4MGLLSMOCYP2C9KDM1A
SCHEMBL2130678 0.83 SMO (0.45) MGLLSMOKDM1AHPGD
SCHEMBL2134230 0.82 CYP3A4 (0.48) CYP3A4MGLLSMOCYP2C9FAAH
SCHEMBL2133657 0.82 MGLL (0.46) CYP3A4MGLLSMOCYP2C9KDM1A
SCHEMBL2132141 0.81 KDM5A (0.39) KDM1APDE4B

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 CYP3A4 2393/4885MGLL 3/4885SMO 3856/4885
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL CYP3A4 2393/4885MGLL 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.