Sugi Predict

Sugi Predict / Compounds / SCHEMBL667013

SCHEMBL667013

SCHEMBL667013

CC(Cn1ccc2ccc(Br)cc21)NCC(=O)N1CCC[C@H]1C#N

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 14/20 0.60
▸ DPP8 Q6V1X1 4/20 0.53
▸ DPP7 Q9UHL4 1/20 0.53
▸ PREP P48147 6/20 0.47
▸ DPP9 Q86TI2 1/20 0.43

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
SCHEMBL667014 1.00 DPP4 (0.60) DPP4DPP8DPP7PREPDPP9
SCHEMBL666231 0.94 DPP4 (0.62) DPP4DPP8DPP7PREPDPP9
SCHEMBL666230 0.94 DPP4 (0.62) DPP4DPP8DPP7PREPDPP9
SCHEMBL666224 0.86 DPP4 (0.61) DPP4DPP8DPP7PREP
SCHEMBL666223 0.86 DPP4 (0.61) DPP4DPP8DPP7PREP
SCHEMBL665902 0.85 DPP4 (0.62) DPP4DPP8DPP7PREP
SCHEMBL665903 0.85 DPP4 (0.62) DPP4DPP8DPP7PREP
SCHEMBL665325 0.84 DPP4 (0.60) DPP4DPP8DPP7PREP
SCHEMBL665324 0.84 DPP4 (0.60) DPP4DPP8DPP7PREP
SCHEMBL665439 0.81 DPP4 (0.64) DPP4DPP8DPP7PREP

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-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 1/4885DPP8 5/4885DPP7 3/4885
US-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP7 3/4885
US-20120045509-A1 MODIFIED RELEASE COMPOSITIONS FOR DPP-IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP7 3/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 DPP4 1/4885DPP8 6/4885DPP7 3/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP7 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.