SCHEMBL2131175

SCHEMBL2131175

O=C(c1ccc(-c2ccccc2)cc1)N1CC(N[C@H]2CCN(C(=O)c3nccs3)C2)C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.55
SLC6A7 Q99884 3/20 0.52
MGLL Q99685 2/20 0.48
CYP2C9 P11712 1/20 0.46
RBP4 P02753 1/20 0.45
HTR2B P41595 2/20 0.45
SMO Q99835 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 2/20 0.43
KDM1A O60341 1/20 0.43
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL2136819 0.89 CYP3A4 (0.47) CYP3A4SLC6A7MGLLCYP2C9RBP4
SCHEMBL2131304 0.89 CYP3A4 (0.47) CYP3A4SLC6A7MGLLCYP2C9RBP4
SCHEMBL2132009 0.88 MCHR1 (0.47) CYP3A4SLC6A7MGLLCYP2C9RBP4
SCHEMBL2130865 0.87 SLC6A7 (0.52) CYP3A4SLC6A7MGLLCYP2C9RBP4
SCHEMBL2129559 0.84 EPHX1 (0.56) MGLLHTR2BSMN1; SMN2ALDH1A1LMNA
SCHEMBL10175842 0.84 SLC6A7 (0.57) CYP3A4SLC6A7MGLLRBP4HTR2B
SCHEMBL2131837 0.84 MGLL (0.50) CYP3A4MGLLCYP2C9SMN1; SMN2ALDH1A1
SCHEMBL2133657 0.84 MGLL (0.46) CYP3A4SLC6A7MGLLCYP2C9RBP4
SCHEMBL2130576 0.84 CYP3A4 (0.52) CYP3A4SLC6A7MGLLCYP2C9RBP4
SCHEMBL2133933 0.84 CYP3A4 (0.48) CYP3A4MGLLCYP2C9RBP4SMO

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 8 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
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

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 2393/4885SLC6A7 1606/4885MGLL 3/4885
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL CYP3A4 2393/4885SLC6A7 1606/4885MGLL 3/4885

“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.