SCHEMBL1509310

SCHEMBL1509310

CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCn2ccnc2C1)Cc1ccc(F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 14/20 0.47
▸ DPP8 Q6V1X1 6/20 0.47
▸ DPP7 Q9UHL4 3/20 0.43
▸ SCD O00767 1/20 0.35
▸ SCD5 Q86SK9 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ VNN1 O95497 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ SGK1 O00141 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ LATS1 O95835 1/20 0.34
▸ PRKCG P05129 1/20 0.34
▸ PRKCB P05771 1/20 0.34
▸ PRKCA P17252 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ PRKACB P22694 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ PRKCH P24723 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
SCHEMBL1509230 0.88 DPP4 (0.49) DPP4DPP8DPP7
SCHEMBL1509221 0.88 DPP4 (0.44) DPP4DPP8DPP7
SCHEMBL1509229 0.85 DPP4 (0.46) DPP4DPP8DPP7P2RX7
SCHEMBL1509260 0.82 DPP4 (0.67) DPP4DPP8DPP7
SCHEMBL1509247 0.79 DPP4 (0.71) DPP4DPP8DPP7
SCHEMBL7061963 0.79 DPP4 (0.71) DPP4DPP8DPP7
SCHEMBL738631 0.75 PIN1 (0.55) PTPN1
SCHEMBL1519632 0.75 PIN1 (0.55) PTPN1
SCHEMBL738632 0.75 PIN1 (0.55) PTPN1
SCHEMBL25937516 0.73 SIGMAR1 (0.47) SCDSCD5P2RX7VNN1NAMPT

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 13 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
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 4/4885DPP7 3/4885
US-20130217695-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP7 3/4885
US-20200206221-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP7 3/4885
US-20150359793-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP7 3/4885
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 4/4885DPP7 3/4885
US-20100130504-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP7 3/4885
US-20170348309-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP7 3/4885

“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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