SCHEMBL5041267

SCHEMBL5041267

CN1CCCN(C(=O)C[C@@H](Cc2cc(F)c(F)cc2F)NC(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.51
DPP8 Q6V1X1 12/20 0.51
DPP7 Q9UHL4 12/20 0.51
DPP9 Q86TI2 3/20 0.45
KLK5 Q9Y337 1/20 0.43
ACE P12821 1/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G5 P39877 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN9A Q15858 2/20 0.40
CYP2D6 P10635 1/20 0.39

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
SCHEMBL5489303 0.82 DPP4 (0.73) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL5037199 0.81 DPP4 (0.72) DPP4DPP8DPP7DPP9
SCHEMBL5041287 0.79 DPP4 (0.56) DPP4DPP8DPP7DPP9KCNH2
SCHEMBL4562755 0.79 DPP4 (0.52) DPP4DPP8DPP7DPP9SCN9A
SCHEMBL4562757 0.79 DPP4 (0.52) DPP4DPP8DPP7DPP9SCN9A
SCHEMBL5034148 0.78 DPP4 (0.52) DPP4DPP8DPP7KCNH2
SCHEMBL10057504 0.78 ACE (0.51) DPP4DPP8DPP7DPP9KLK5
SCHEMBL7852576 0.77 DPP4 (0.61) DPP4DPP8DPP7DPP9KLK5
SCHEMBL8245497 0.76 DPP4 (0.68) DPP4DPP8DPP7KCNH2
SCHEMBL13852630 0.76 DPP4 (0.68) DPP4DPP8DPP7KCNH2

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-1556362-B1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-03-26 EP disclosed
US-7101871-B2 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2006-09-05 US disclosed
EP-1556362-A4 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2006-08-23 EP disclosed
EP-1556362-A2 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-07-27 EP disclosed
US-20040254167-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. 2004-12-16 US disclosed
WO-2004037169-A2 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-05-06 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-20040254167-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP8 4/4885DPP7 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.