Sugi Predict

Sugi Predict / Compounds / SCHEMBL666772

SCHEMBL666772

SCHEMBL666772

CC(Cn1ccc(-c2ccccc2)n1)NCC(=O)N1CCC[C@H]1C#N

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 16/20 0.58
▸ DPP8 Q6V1X1 4/20 0.57
▸ DPP7 Q9UHL4 3/20 0.55
▸ PREP P48147 3/20 0.53

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
SCHEMBL666773 1.00 DPP4 (0.58) DPP4DPP8DPP7PREP
SCHEMBL666057 0.90 PREP (0.53) DPP4DPP8DPP7PREP
SCHEMBL666056 0.90 PREP (0.53) DPP4DPP8DPP7PREP
SCHEMBL664190 0.84 DPP4 (0.63) DPP4DPP8DPP7PREP
SCHEMBL664189 0.84 DPP4 (0.63) DPP4DPP8DPP7PREP
SCHEMBL667340 0.80 DPP4 (0.61) DPP4DPP8DPP7PREP
SCHEMBL6403773 0.80 DPP4 (0.61) DPP4DPP8DPP7PREP
SCHEMBL667339 0.80 DPP4 (0.61) DPP4DPP8DPP7PREP
SCHEMBL7188500 0.77 DPP4 (0.75) DPP4DPP8DPP7PREP
SCHEMBL663957 0.77 DPP4 (0.75) 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 9 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-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 — — US 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.