SCHEMBL5266044

SCHEMBL5266044

CCOC(=O)c1nnc2n1CCN(C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)C2

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.70
DPP9 Q86TI2 3/20 0.70
DPP8 Q6V1X1 9/20 0.58
DPP7 Q9UHL4 2/20 0.48
ACE P12821 1/20 0.48
HTR2A P28223 1/20 0.48
FAP Q12884 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
SCHEMBL7919249 0.89 DPP4 (0.58) DPP4DPP9DPP8DPP7ACE
SCHEMBL5935877 0.88 DPP4 (0.72) DPP4DPP9DPP8DPP7ACE
SCHEMBL5935836 0.88 DPP4 (0.72) DPP4DPP9DPP8DPP7ACE
SCHEMBL1509255 0.85 DPP4 (0.72) DPP4DPP9DPP8DPP7ACE
SCHEMBL15344691 0.85 DPP4 (0.57) DPP4DPP9DPP8DPP7ACE
SCHEMBL29361968 0.85 DPP4 (0.72) DPP4DPP9DPP8DPP7ACE
SCHEMBL3715380 0.85 DPP4 (0.72) DPP4DPP9DPP8DPP7ACE
SCHEMBL30535978 0.85 DPP4 (0.72) DPP4DPP9DPP8DPP7ACE
SCHEMBL5935838 0.85 DPP4 (0.57) DPP4DPP9DPP8DPP7ACE
SCHEMBL5417652 0.85 DPP4 (0.51) DPP4DPP9DPP8DPP7ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583534-A4 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2007-08-29 EP disclosed
US-20060052382-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. 2006-03-09 US disclosed
EP-1583534-A1 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-10-12 EP disclosed
WO-2004058266-A1 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-07-15 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-20060052382-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP9 4/4885DPP8 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.