Sugi Predict

Sugi Predict / Compounds / SCHEMBL666221

SCHEMBL666221

SCHEMBL666221

Cc1oc(-c2cccc(Cl)c2)nc1CC(C)(C)NCC(=O)N1CCC[C@H]1C#N

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 18/20 0.57
▸ DPP7 Q9UHL4 3/20 0.55
▸ DPP8 Q6V1X1 2/20 0.49
▸ DPP9 Q86TI2 1/20 0.49
▸ NPC1 O15118 1/20 0.48

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
SCHEMBL4594320 1.00 DPP4 (0.57) DPP4DPP7DPP8DPP9NPC1
SCHEMBL662815 0.92 DPP4 (0.59) DPP4DPP7DPP8DPP9
SCHEMBL7068756 0.90 DPP4 (0.68) DPP4DPP7DPP8DPP9
SCHEMBL666163 0.90 DPP4 (0.68) DPP4DPP7DPP8DPP9
SCHEMBL4594423 0.87 DPP4 (0.55) DPP4DPP7DPP8DPP9
SCHEMBL667317 0.87 DPP4 (0.55) DPP4DPP7DPP8DPP9
SCHEMBL664125 0.85 DPP4 (0.61) DPP4DPP7DPP8DPP9
SCHEMBL4593456 0.85 DPP4 (0.61) DPP4DPP7DPP8DPP9
SCHEMBL6404619 0.84 NPC1 (0.47) DPP4NPC1
SCHEMBL663417 0.84 NPC1 (0.47) DPP4NPC1

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