SCHEMBL2610290

SCHEMBL2610290

CC(=O)c1ccc2c(-c3cccc(C(F)(F)F)c3)cn(C)c2c1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.72
SCN5A Q14524 9/20 0.54
DGAT2 Q96PD7 1/20 0.44
S1PR1 P21453 1/20 0.43
KDM4E B2RXH2 1/20 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
SCHEMBL121689 0.91 SCN9A (0.72) SCN9ASCN5ADGAT2S1PR1
SCHEMBL2130522 0.87 SCN9A (0.71) SCN9ASCN5ADGAT2KDM4E
SCHEMBL19510382 0.84 SCN9A (1.00) SCN9ASCN5A
SCHEMBL122571 0.82 SCN9A (0.67) SCN9ASCN5AS1PR1
SCHEMBL121898 0.82 SCN9A (0.51) SCN9ASCN5ADGAT2KDM4E
SCHEMBL121418 0.77 IDO1 (0.58) SCN9ASCN5AKDM4E
SCHEMBL121389 0.77 SCN9A (0.70) SCN9ASCN5AS1PR1
SCHEMBL912468 0.76 SCN9A (0.54) SCN9ASCN5A
SCHEMBL121883 0.75 ASH1L (0.51) SCN9A
SCHEMBL2129782 0.74 SCN9A (0.54) SCN9ASCN5ADGAT2

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 4 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-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 SCN9A 229/4885SCN5A 1231/4885DGAT2 53/4885
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL SCN9A 229/4885SCN5A 1231/4885DGAT2 53/4885

“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.