SCHEMBL5231868

SCHEMBL5231868

Cc1cnc2n1CC(Cc1ccccc1)N(C(=O)C[C@@H](Cc1ccc(F)c(F)c1)NC(=O)OC(C)(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.40
▸ DPP7 Q9UHL4 5/20 0.40
▸ KLK5 Q9Y337 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ BTK Q06187 1/20 0.35
▸ ACE P12821 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ PIN1 Q13526 1/20 0.34
▸ PABPC1 P11940 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL5665480 1.00 DPP4 (0.40) DPP4DPP7KLK5ATMBTK
SCHEMBL5651226 0.90 DPP4 (0.41) DPP4DPP7KLK5ATMACE
SCHEMBL1068220 0.83 DPP4 (0.51) DPP4DPP7
SCHEMBL1068219 0.83 DPP4 (0.51) DPP4DPP7
SCHEMBL5487719 0.72 DPP4 (0.53) DPP4DPP7
SCHEMBL5648962 0.72 KLK5 (0.33) DPP4DPP7KLK5ATMACE
SCHEMBL5648959 0.72 KLK5 (0.32) DPP4DPP7KLK5ACESCN9A
SCHEMBL738632 0.71 PIN1 (0.55) KLK5ATMACEPTPN1PIN1
SCHEMBL738631 0.71 PIN1 (0.55) KLK5ATMACEPTPN1PIN1
SCHEMBL1519632 0.71 PIN1 (0.55) KLK5ATMACEPTPN1PIN1

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
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
EP-1490335-B1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2007-09-19 — — EP disclosed
EP-1490335-A4 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2006-02-08 — — EP 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
EP-1490335-A2 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2004-12-29 — — EP disclosed
WO-2003082817-A2 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2003-10-09 — — 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-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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