SCHEMBL1493746

SCHEMBL1493746

NC(=O)[C@@H]1CC(F)(F)CN1C(=O)CO

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.42
CNR1 P21554 1/20 0.39
OPRM1 P35372 2/20 0.37
RORC P51449 1/20 0.37
OPRK1 P41145 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL1493865 1.00 CNR2 (0.42) CNR2CNR1OPRM1RORCOPRK1
SCHEMBL1345807 0.85 CNR2 (0.40) CNR2CNR1OPRM1RORCOPRK1
SCHEMBL6614764 0.85 CNR2 (0.40) CNR2CNR1OPRM1RORCOPRK1
SCHEMBL15129890 0.80 CNR2 (0.41) CNR2CNR1OPRM1OPRK1
SCHEMBL2845977 0.80 CNR2 (0.41) CNR2CNR1OPRM1OPRK1
SCHEMBL28038908 0.80 CNR2 (0.41) CNR2CNR1OPRM1OPRK1
SCHEMBL25494519 0.76 OPRM1 (0.42) CNR2CNR1OPRM1OPRK1DPP4
SCHEMBL29162891 0.72 CNR2 (0.37) CNR2CNR1OPRM1RORCOPRK1
SCHEMBL15130403 0.72 HDAC8 (0.46) CNR2DPP4
SCHEMBL15130402 0.72 HDAC8 (0.46) CNR2DPP4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915427-B2 Process for producing aminoacetyl pyrrolidine carbonitrile derivative and intermediate for production thereof KYORIN PHARMACEUTICALS CO., LTD. (JP) 2011-03-29 US disclosed
US-20090048454-A1 Process for Producing Aminoacetyl Pyrrolidine Carbonitrile Derivative and Intermediate for Production Thereof KYORIN PHARMACEUTICALS CO., LTD. (JP) 2009-02-19 US disclosed
EP-1995237-A1 METHOD FOR PRODUCING AMINOACETYLPYRROLIDINECARBONITRILE DERIVATIVE AND PRODUCTION INTERMEDIATE THEREOF Kyorin Pharmaceutical Co., Ltd. (JP) 2008-11-26 EP 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 (1 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-20090048454-A1 Process for Producing Aminoacetyl Pyrrolidine Carbonitrile Derivative and Intermediate for Production Thereof CBR3, CPS1, CBR1 CNR2 105/4885CNR1 192/4885OPRM1 3573/4885

“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.