SCHEMBL666975

SCHEMBL666975

COc1ccc2c(c1)cc(C)n2CC(C)NCC(=O)N1CCC[C@H]1C#N

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.77
PREP P48147 5/20 0.53
DPP8 Q6V1X1 3/20 0.48
DPP7 Q9UHL4 2/20 0.48
FAP Q12884 1/20 0.45
DPP9 Q86TI2 1/20 0.45

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
SCHEMBL666976 1.00 DPP4 (0.77) DPP4PREPDPP8DPP7FAP
SCHEMBL664860 0.88 DPP4 (0.79) DPP4PREPDPP8DPP7
SCHEMBL664859 0.88 DPP4 (0.79) DPP4PREPDPP8DPP7
SCHEMBL664749 0.87 DPP4 (1.00) DPP4PREPDPP8DPP7FAP
SCHEMBL664750 0.87 DPP4 (1.00) DPP4PREPDPP8DPP7FAP
SCHEMBL665966 0.84 DPP4 (0.57) DPP4PREPDPP8
SCHEMBL7188500 0.76 DPP4 (0.75) DPP4PREPDPP8DPP7FAP
SCHEMBL663957 0.76 DPP4 (0.75) DPP4PREPDPP8DPP7FAP
SCHEMBL663958 0.76 DPP4 (0.75) DPP4PREPDPP8DPP7FAP
SCHEMBL665630 0.76 DPP4 (0.79) DPP4PREPDPP8DPP7

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
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP claimed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US claimed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US claimed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US claimed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US claimed
US-20120045509-A1 MODIFIED RELEASE COMPOSITIONS FOR DPP-IV INHIBITORS LOEFFLER BERND MICHAEL (CH) 2012-02-23 US disclosed
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP disclosed
US-7314884-B2 non-insulin dependent diabetes mellitus, and impaired glucose tolerance; dipeptidyl peptidase IV (DPP-IV) inhibitors eg (2S)-1-{[(1S)-2-(5-cyano-2-methyl-indol-1-yl)-1-methyl-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile HOFFMANN-LA ROCHE INC. (US) 2008-01-01 US disclosed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US disclosed
US-20070098781-A1 Modified release compositions for DPP-IV inhibitors HOFFMANN-LA ROCHE INC. 2007-05-03 US disclosed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US disclosed
US-6861440-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-03-01 US disclosed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 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 (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-20070098781-A1 Modified release compositions for DPP-IV inhibitors DPP4, DPP3, DPP7 DPP4 1/4885PREP 118/4885DPP8 5/4885
US-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885PREP 99/4885DPP8 5/4885
US-20120045509-A1 MODIFIED RELEASE COMPOSITIONS FOR DPP-IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885PREP 118/4885DPP8 5/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 DPP4 1/4885PREP 173/4885DPP8 6/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 DPP4 1/4885PREP 99/4885DPP8 5/4885

“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.