SCHEMBL1509250

SCHEMBL1509250

CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)ccc1F

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.68
DPP8 Q6V1X1 10/20 0.68
DPP9 Q86TI2 2/20 0.58
DPP7 Q9UHL4 2/20 0.55
ACE P12821 1/20 0.55
HTR2A P28223 1/20 0.55
FAP Q12884 1/20 0.55

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
SCHEMBL3715380 0.91 DPP4 (0.72) DPP4DPP8DPP9DPP7ACE
SCHEMBL30535978 0.91 DPP4 (0.72) DPP4DPP8DPP9DPP7ACE
SCHEMBL1509255 0.91 DPP4 (0.72) DPP4DPP8DPP9DPP7ACE
SCHEMBL29361968 0.91 DPP4 (0.72) DPP4DPP8DPP9DPP7ACE
SCHEMBL14982915 0.85 DPP4 (0.67) DPP4DPP8DPP9DPP7ACE
SCHEMBL2162356 0.85 DPP4 (0.67) DPP4DPP8DPP9DPP7ACE
SCHEMBL2554245 0.84 DPP4 (0.65) DPP4DPP8DPP9DPP7ACE
SCHEMBL12285638 0.84 DPP4 (0.71) DPP4DPP8DPP9DPP7ACE
SCHEMBL5935823 0.83 DPP4 (0.47) DPP4DPP8DPP9DPP7
SCHEMBL10057467 0.83 DPP4 (0.62) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200206221-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME CORP. (US) 2020-07-02 US disclosed
US-20170348309-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2017-12-07 US disclosed
US-20150359793-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2015-12-17 US disclosed
EP-2292232-B1 BETA-AMINO TETRAHYDROIMIDAZO(1,2-A)PYRAZINES AND TETRAHYDROTRIAZOLO(4,3-A)PYRAZINES FOR USE IN THE TREATMENT OF DIABETES TYPE II MERCK SHARP & DOHME (US) 2014-08-20 EP disclosed
US-20130217695-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME CORP. (US) 2013-08-22 US disclosed
US-8440668-B2 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment of type 2 diabetes MERCK SHARP & DOHME CORP (US) 2013-05-14 US disclosed
US-8168637-B2 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
US-20110190308-A1 NOVEL CYCLIC AZABENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2011-08-04 US disclosed
EP-2292232-A1 Beta-amino tetrahydroimidazo(1,2-A)pyrazines and tetrahydrotriazolo(4,3-A)pyrazines for use in the treatment of diabetes type II Merck Sharp & Dohme Corp. (US) 2011-03-09 EP disclosed
EP-2226324-A1 BETA-AMINO TETRAHYDROIMIDAZO(1,2-A)PYRAZINES AND TETRAHYDROTRIAZOLO(4,3-A)PYRAZINES FOR USE IN THE TREATMENT OF DIABETES TYPE II Merck Sharp & Dohme Corp. (US) 2010-09-08 EP disclosed
US-20100130504-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2010-05-27 US disclosed
EP-1412357-B1 BETA-AMINO TETRAHYDROIMIDAZO(1,2-A)PYRAZINES AND TETRAHYDROTRIAZOLO(4,3-A)PYRAZINES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2006-03-22 EP disclosed
EP-1625847-A1 Pharmaceutical composition comprising a tetrahydrotriazolo[4,3-a]pyrazine Merck & Co., Inc. (US) 2006-02-15 EP disclosed
US-20040167133-A1 Beta-amino tetrahydroimidazo (1, 2-a) pyrazines and tetrahydrotrioazolo (4,3-a) pyrazines as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2004-08-26 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 (7 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-20110190308-A1 NOVEL CYCLIC AZABENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS DPP4, DPP3, DPP7 DPP4 1/4885DPP8 4/4885DPP9 5/4885
US-20130217695-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP9 4/4885
US-20200206221-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP9 4/4885
US-20150359793-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP9 4/4885
US-20040167133-A1 Beta-amino tetrahydroimidazo (1, 2-a) pyrazines and tetrahydrotrioazolo (4,3-a) pyrazines as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP8 4/4885DPP9 6/4885
US-20100130504-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP9 4/4885
US-20170348309-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP9 4/4885

“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.