SCHEMBL1509255

SCHEMBL1509255

CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.72
DPP8 Q6V1X1 8/20 0.67
DPP9 Q86TI2 2/20 0.67
DPP7 Q9UHL4 2/20 0.67
ACE P12821 1/20 0.67
HTR2A P28223 1/20 0.67
FAP Q12884 1/20 0.67

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
SCHEMBL29361968 1.00 DPP4 (0.72) DPP4DPP8DPP9DPP7ACE
SCHEMBL30535978 1.00 DPP4 (0.72) DPP4DPP8DPP9DPP7ACE
SCHEMBL3715380 1.00 DPP4 (0.72) DPP4DPP8DPP9DPP7ACE
SCHEMBL2162356 0.94 DPP4 (0.67) DPP4DPP8DPP9DPP7ACE
SCHEMBL14982915 0.94 DPP4 (0.67) DPP4DPP8DPP9DPP7ACE
SCHEMBL2554245 0.92 DPP4 (0.65) DPP4DPP8DPP9DPP7ACE
SCHEMBL12285638 0.92 DPP4 (0.71) DPP4DPP8DPP9DPP7ACE
SCHEMBL1509250 0.91 DPP4 (0.68) DPP4DPP8DPP9DPP7ACE
SCHEMBL2554221 0.91 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL2552198 0.91 DPP4 (0.72) 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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409912-B2 Process for the preparation of sitagliptin phosphate CADILA HEALTHCARE LIMITED (IN) 2016-08-09 US claimed
US-20150087834-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN PHOSPHATE CADILA HEALTHCARE LIMITED (IN) 2015-03-26 US claimed
EP-4151620-B1 METHOD FOR PREPARING CHIRAL 4-ARYL-BETA-AMINO ACID DERIVATIVE ZHEJIANG MED XINCHANG PHARM (CN) 2026-04-08 EP disclosed
US-12534427-B2 Method for preparing chiral 4-aryl-β-amino acid derivative ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2026-01-27 US disclosed
WO-2023181046-A1 RECYCLABLE BIOCATALYTIC PROCESS FOR PREPARATION OF SITAGLIPTIN IOL CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2023-09-28 WO disclosed
CN-116239491-A Sitagliptin impurity compound I and preparation method thereof 浙江永太科技股份有限公司 2023-06-09 CN disclosed
US-20230174461-A1 METHOD FOR PREPARING CHIRAL 4-ARYL-ß-AMINO ACID DERIVATIVE ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2023-06-08 US disclosed
US-20230174461-A1 METHOD FOR PREPARING CHIRAL 4-ARYL-ß-AMINO ACID DERIVATIVE ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2023-06-08 US disclosed
US-20230174461-A1 METHOD FOR PREPARING CHIRAL 4-ARYL-ß-AMINO ACID DERIVATIVE ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2023-06-08 US disclosed
EP-4151620-A1 METHOD FOR PREPARING CHIRAL 4-ARYL-BETA-AMINO ACID DERIVATIVE Zhejiang Medicine Co., Ltd. Xinchang Pharmaceutical Factory (CN) 2023-03-22 EP disclosed
CN-113636950-B Preparation method of chiral 4-aryl-beta-amino acid derivative 浙江医药股份有限公司新昌制药厂 2023-01-17 CN disclosed
WO-2010078440-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF N-ACYLATED-4-ARYL BETA-AMINO ACID DERIVATIVES CHIRAL QUEST, INC. (US) 2010-07-08 WO disclosed
EP-1625847-B1 Medical use of a tetrahydrotriazolo[4,3-a]pyrazine MERCK SHARP & DOHME (US) 2010-06-16 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
US-20090192326-A1 Preparation of sitagliptin intermediate TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-07-30 US disclosed
US-20090192326-A1 Preparation of sitagliptin intermediate TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-07-30 US disclosed
WO-2009064476-A1 PREPARATION OF SITAGLIPTIN INTERMEDIATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-22 WO 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 (6 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-20090192326-A1 Preparation of sitagliptin intermediate DPP4, DPP7, DPP3 DPP4 1/4885DPP8 5/4885DPP9 4/4885
US-12534427-B2 Method for preparing chiral 4-aryl-β-amino acid derivative OPRM1, SIGMAR1, GLRB DPP4 1767/4885DPP8 3623/4885DPP9 4116/4885
US-20230174461-A1 METHOD FOR PREPARING CHIRAL 4-ARYL-ß-AMINO ACID DERIVATIVE ENPEP, BCAT2, BCAT1 DPP4 330/4885DPP8 1201/4885DPP9 1071/4885
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-20150087834-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN PHOSPHATE DPP4, DPP9, SI DPP4 1/4885DPP8 9/4885DPP9 2/4885
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

“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.