SCHEMBL5487338

SCHEMBL5487338

COc1nnc2n1CCN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C2

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.74
DPP8 Q6V1X1 11/20 0.74
DPP9 Q86TI2 3/20 0.71
DPP7 Q9UHL4 2/20 0.71
ACE P12821 1/20 0.71
HTR2A P28223 1/20 0.71
FAP Q12884 1/20 0.71

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
SCHEMBL5935863 1.00 DPP4 (0.74) DPP4DPP8DPP9DPP7ACE
SCHEMBL8335491 0.90 DPP4 (0.72) DPP4DPP8DPP9DPP7ACE
SCHEMBL6853393 0.87 DPP4 (0.78) DPP4DPP8DPP9DPP7ACE
SCHEMBL7902672 0.87 DPP4 (0.78) DPP4DPP8DPP9DPP7ACE
SCHEMBL14267898 0.87 DPP4 (0.78) DPP4DPP8DPP9DPP7ACE
SCHEMBL5935871 0.84 DPP4 (0.74) DPP4DPP8DPP9DPP7ACE
SCHEMBL6877160 0.84 DPP4 (0.83) DPP4DPP8DPP9DPP7ACE
SCHEMBL16231055 0.84 DPP4 (0.83) DPP4DPP8DPP9DPP7ACE
SCHEMBL16230987 0.84 DPP4 (0.83) DPP4DPP8DPP9DPP7ACE
SCHEMBL18104703 0.84 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123470-A1 Enhancement of growth hormone levels with a dipeptidyl peptidase IV inhibitor and a growth hormone secretagogue MERCK & CO., INC. 2007-05-31 US 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
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 (2 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 1/4885DPP8 5/4885DPP9 4/4885
US-20070123470-A1 Enhancement of growth hormone levels with a dipeptidyl peptidase IV inhibitor and a growth hormone secretagogue DPP4, DPP3, GHSR DPP4 1/4885DPP8 6/4885DPP9 14/4885

“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.