SCHEMBL5651226

SCHEMBL5651226

Cc1nnc2n1CC(Cc1ccccc1)N(C(=O)C[C@@H](Cc1ccc(F)c(F)c1)NC(=O)OC(C)(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 11/20 0.41
▸ DPP7 Q9UHL4 7/20 0.41
▸ KLK5 Q9Y337 1/20 0.38
▸ DPP8 Q6V1X1 4/20 0.38
▸ ATM Q13315 2/20 0.38
▸ ACE P12821 1/20 0.36
▸ SCN9A Q15858 2/20 0.36
▸ PIN1 Q13526 1/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34

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
SCHEMBL5231868 0.90 DPP4 (0.40) DPP4DPP7KLK5ATMACE
SCHEMBL5665480 0.90 DPP4 (0.40) DPP4DPP7KLK5ATMACE
SCHEMBL5487719 0.83 DPP4 (0.53) DPP4DPP7DPP8DPP9
SCHEMBL5648962 0.81 KLK5 (0.33) DPP4DPP7KLK5DPP8ATM
SCHEMBL5648959 0.81 KLK5 (0.32) DPP4DPP7KLK5DPP8ACE
SCHEMBL1509260 0.74 DPP4 (0.67) DPP4DPP7DPP8DPP9
SCHEMBL1068219 0.72 DPP4 (0.51) DPP4DPP7DPP8DPP9
SCHEMBL1068220 0.72 DPP4 (0.51) DPP4DPP7DPP8DPP9
SCHEMBL738631 0.72 PIN1 (0.55) KLK5ATMACEPIN1PTPN1
SCHEMBL1519632 0.72 PIN1 (0.55) KLK5ATMACEPIN1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307164-B2 β-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-12-11 — — US disclosed
US-20050107390-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. 2005-05-19 — — 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 (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-20050107390-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885KLK5 944/4885

“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.

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