SCHEMBL667336

SCHEMBL667336

Cc1oc(-c2ccc(Cl)cc2)nc1CCNCC(=O)N1CCC[C@H]1C#N

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.55
PREP P48147 1/20 0.49
POLB P06746 3/20 0.49
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.49

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
SCHEMBL1436492 1.00 DPP4 (0.55) DPP4PREPPOLBTP53MAPT
SCHEMBL665830 0.91 DPP4 (0.54) DPP4
SCHEMBL4594315 0.91 DPP4 (0.54) DPP4
SCHEMBL875490 0.91 DPP4 (0.63) DPP4
SCHEMBL197391 0.91 DPP4 (0.63) DPP4
SCHEMBL664089 0.88 DPP4 (0.51) DPP4
SCHEMBL2976242 0.88 DPP4 (0.59) DPP4
SCHEMBL666248 0.88 DPP4 (0.59) DPP4
SCHEMBL1436263 0.86 DPP4 (0.55) DPP4TP53MAPT
SCHEMBL666999 0.86 DPP4 (0.55) DPP4TP53MAPT

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 10 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
EP-1917001-A2 PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 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
WO-2007017423-A2 PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO 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 118/4885POLB 4779/4885
US-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885PREP 99/4885POLB 3835/4885
US-20120045509-A1 MODIFIED RELEASE COMPOSITIONS FOR DPP-IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885PREP 118/4885POLB 4779/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 DPP4 1/4885PREP 173/4885POLB 4075/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 DPP4 1/4885PREP 99/4885POLB 3835/4885

“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.