SCHEMBL1345807

SCHEMBL1345807

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.40
CNR1 P21554 1/20 0.38
OPRM1 P35372 2/20 0.36
OPRK1 P41145 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
RORC P51449 1/20 0.35

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
SCHEMBL6614764 1.00 CNR2 (0.40) CNR2CNR1OPRM1OPRK1MAOA
SCHEMBL1493746 0.85 CNR2 (0.42) CNR2CNR1OPRM1OPRK1RORC
SCHEMBL1493865 0.85 CNR2 (0.42) CNR2CNR1OPRM1OPRK1RORC
SCHEMBL2845977 0.79 CNR2 (0.41) CNR2CNR1OPRM1OPRK1MAOA
SCHEMBL28038908 0.79 CNR2 (0.41) CNR2CNR1OPRM1OPRK1MAOA
SCHEMBL15129890 0.79 CNR2 (0.41) CNR2CNR1OPRM1OPRK1MAOA
SCHEMBL25494519 0.75 OPRM1 (0.42) CNR2CNR1OPRM1OPRK1
SCHEMBL1347339 0.72 DPP4 (0.53)
SCHEMBL15130403 0.71 HDAC8 (0.46) CNR2MAOAMAOB
SCHEMBL29162891 0.71 CNR2 (0.37) CNR2CNR1OPRM1OPRK1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063045-B2 Fluoropyrrolidines having dipeptidyl peptidase enzyme inhibitory activity SANOFI-AVENTIS (FR) 2011-11-22 US disclosed
US-20100210838-A1 FLUOROPYRROLIDINES HAVING DIPEPTIDYL PEPTIDASE ENZYME INHIBITORY ACTIVITY SANOFI-AVENTIS (FR) 2010-08-19 US disclosed
US-20100160328-A1 NEW COMPOUNDS USEFUL FOR DPP-IV ENZYME INHIBITION SANOFI-AVENTIS (FR) 2010-06-24 US disclosed
US-7655663-B2 Fluoropyrrolidines having dipeptidyl peptidase enzyme inhibitory activity SANOFI-AVENTIS (FR) 2010-02-02 US disclosed
US-7652021-B2 (2S)-4,4-difluoro-1-{N-[3-(pyrimidin-2-ylamino)-1-adamantyl]glycyl}pyrrolidine-2-carbonitrile; dipeptidyl peptidase IV enzyme inhibitors; non-insulin dependent diabetes mellitus SANOFI-AVENTIS (FR) 2010-01-26 US disclosed
EP-1487807-B1 Cyano-pyrrolidines as DPP-IV inhibitors SANOFI AVENTIS (FR) 2009-09-16 EP disclosed
US-20080161310-A1 FLUOROPYRROLIDINES HAVING DIPEPTIDYL PEPTIDASE ENZYME INHIBITORY ACTIVITY SANOFI-AVENTIS (FR) 2008-07-03 US disclosed
US-7348327-B2 Compounds SANOFI-AVENTIS (FR) 2008-03-25 US disclosed
EP-1664031-B1 ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS SANOFI AVENTIS (FR) 2007-12-19 EP disclosed
US-20060276487-A1 New compounds useful for DPP-IV enzyme inhibition SANOFI-AVENTIS (FR) 2006-12-07 US disclosed
US-20050130981-A1 Compounds SANOFI-AVENTIS (FR) 2005-06-16 US disclosed
EP-1487807-A2 NEW COMPOUNDS Sanofi-Aventis (FR) 2004-12-22 EP disclosed
WO-2003074500-A2 N-AMINOACETYL-PYRROLIDINE-2-CARBONITRILES AND THEIR USE AS DDP-IV INHIBITORS SANOFI-AVENTIS (FR) 2003-09-12 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 (5 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-20080161310-A1 FLUOROPYRROLIDINES HAVING DIPEPTIDYL PEPTIDASE ENZYME INHIBITORY ACTIVITY DPP4, DPP3, DPP7 CNR2 4756/4885CNR1 4534/4885OPRM1 1867/4885
US-20050130981-A1 Compounds DPP4, DPP3, DPP7 CNR2 4329/4885CNR1 3647/4885OPRM1 1089/4885
US-20100210838-A1 FLUOROPYRROLIDINES HAVING DIPEPTIDYL PEPTIDASE ENZYME INHIBITORY ACTIVITY DPP4, DPP3, DPP7 CNR2 4756/4885CNR1 4534/4885OPRM1 1867/4885
US-20060276487-A1 New compounds useful for DPP-IV enzyme inhibition DPP4, DPP7, DPP9 CNR2 4635/4885CNR1 4613/4885OPRM1 3387/4885
US-20100160328-A1 NEW COMPOUNDS USEFUL FOR DPP-IV ENZYME INHIBITION DPP4, DPP7, DPP9 CNR2 4635/4885CNR1 4613/4885OPRM1 3387/4885

“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.