SCHEMBL4392074

SCHEMBL4392074

CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCc2cnc(C(F)(F)F)nc2C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.44
DPP8 Q6V1X1 5/20 0.42
DPP7 Q9UHL4 4/20 0.42
MAPK1 P28482 6/20 0.40
CDK2 P24941 2/20 0.39
ACE P12821 1/20 0.37
HTR2A P28223 1/20 0.37
FAP Q12884 1/20 0.37
DPP9 Q86TI2 1/20 0.37

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
SCHEMBL4390457 0.83 MAPK1 (0.38) DPP4DPP8DPP7MAPK1CDK2
SCHEMBL4550697 0.82 DPP4 (0.61) DPP4DPP8DPP7ACEHTR2A
SCHEMBL4550698 0.82 DPP4 (0.61) DPP4DPP8DPP7ACEHTR2A
Hydrochloric Acid SCHEMBL4399414 0.81 DPP4 (0.61) DPP4DPP8DPP7ACEHTR2A
SCHEMBL4388599 0.79 DPP4 (0.43) DPP4DPP8DPP7DPP9
SCHEMBL4551022 0.79 DPP4 (0.43) DPP4DPP8DPP7DPP9
SCHEMBL4551019 0.79 DPP4 (0.43) DPP4DPP8DPP7DPP9
SCHEMBL4562757 0.79 DPP4 (0.52) DPP4DPP8DPP7DPP9
SCHEMBL4562755 0.79 DPP4 (0.52) DPP4DPP8DPP7DPP9
SCHEMBL411591 0.78 DPP4 (0.54) DPP4DPP8DPP7ACEHTR2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554256-B1 PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO INC (US) 2009-12-09 EP disclosed
EP-1554256-A4 PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO INC (US) 2007-06-13 EP disclosed
US-7208498-B2 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK & CO., INC. (US) 2007-04-24 US disclosed
US-20060040963-A1 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK SHARP & DOHME LLC 2006-02-23 US disclosed
EP-1554256-A1 PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES Merck & Co., Inc. (US) 2005-07-20 EP disclosed
WO-2004007468-A1 PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO., INC. (US) 2004-01-22 WO 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 (1 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-20060040963-A1 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes 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.