SCHEMBL666480

SCHEMBL666480

CC(COc1ccc2ccccc2c1)NCC(=O)N1CCC[C@H]1C#N

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PREP P48147 7/20 0.69
DPP4 P27487 12/20 0.62
ADRB2 P07550 1/20 0.57
ADRB1 P08588 1/20 0.57
DPP8 Q6V1X1 3/20 0.57
DPP7 Q9UHL4 1/20 0.57
FAP Q12884 1/20 0.50

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
SCHEMBL666481 1.00 PREP (0.69) PREPDPP4ADRB2ADRB1DPP8
SCHEMBL7169242 1.00 PREP (0.69) PREPDPP4ADRB2ADRB1DPP8
SCHEMBL664749 0.77 DPP4 (1.00) PREPDPP4DPP8DPP7FAP
SCHEMBL664750 0.77 DPP4 (1.00) PREPDPP4DPP8DPP7FAP
Dimethylamine SCHEMBL665713 0.76 DPP4 (0.65) PREPDPP4DPP8DPP7
Dimethylamine SCHEMBL666588 0.76 DPP4 (0.65) PREPDPP4DPP8DPP7
SCHEMBL666975 0.75 DPP4 (0.77) PREPDPP4DPP8DPP7FAP
SCHEMBL666976 0.75 DPP4 (0.77) PREPDPP4DPP8DPP7FAP
SCHEMBL665439 0.75 DPP4 (0.64) PREPDPP4DPP8DPP7FAP
SCHEMBL666567 0.75 DPP4 (0.69) PREPDPP4DPP8DPP7FAP

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 PREP 118/4885DPP4 1/4885ADRB2 785/4885
US-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 PREP 99/4885DPP4 1/4885ADRB2 1427/4885
US-20120045509-A1 MODIFIED RELEASE COMPOSITIONS FOR DPP-IV INHIBITORS DPP4, DPP3, DPP7 PREP 118/4885DPP4 1/4885ADRB2 785/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 PREP 173/4885DPP4 1/4885ADRB2 979/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 PREP 99/4885DPP4 1/4885ADRB2 1427/4885

“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.