SCHEMBL3715380

SCHEMBL3715380

CC(C)(C)OC(=O)NC(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
SCHEMBL1509255 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 11 patents. 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-4469459-B1 PROCESS FOR PREPARING CRYSTALLINE SITAGLIPTIN HYDROCHLORIDE MONOHYDRATE ZAKL FARMACEUTYCZNE POLPHARMA S A (PL) 2026-01-21 EP disclosed
EP-4469459-A1 PROCESS FOR PREPARING CRYSTALLINE SITAGLIPTIN HYDROCHLORIDE MONOHYDRATE Zaklady Farmaceutyczne Polpharma S.A. (PL) 2024-12-04 EP disclosed
WO-2023139276-A1 PROCESS FOR PREPARING CRYSTALLINE SITAGLIPTIN HYDROCHLORIDE MONOHYDRATE ZAKLADY FARMACEUTYCZNE POLPHARMA S.A. (PL) 2023-07-27 WO disclosed
CN-113979896-A Sitagliptin impurity I and preparation method thereof 浙江永太手心医药科技有限公司 2022-01-28 CN disclosed
EP-3811930-A1 ORAL GLIPTIN COMPOSITIONS AND METHOD FOR PREPARATION THEREOF Authenda Pharmaceuticals AG (CH) 2021-04-28 EP disclosed
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-9409912-B2 Process for the preparation of sitagliptin phosphate CADILA HEALTHCARE LIMITED (IN) 2016-08-09 US disclosed
US-20150087834-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN PHOSPHATE CADILA HEALTHCARE LIMITED (IN) 2015-03-26 US disclosed
WO-2010097420-A1 PROCESS FOR THE PREPARATION OF A CHIRAL BETA AMINOACID DERIVATIVE AND INTERMEDIATES THEREOF Esteve Química, S.A. (ES) 2010-09-02 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 (2 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-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-20150087834-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN PHOSPHATE DPP4, DPP9, SI DPP4 1/4885DPP8 9/4885DPP9 2/4885

“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.