Trelagliptin

Trelagliptin

SCHEMBL4468875

Cn1c(=O)cc(N2CCCC(N)C2)n(Cc2cc(F)ccc2C#N)c1=O.O=C(O)CCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

DPP4

The experimentally established mechanism targets of Trelagliptin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 20/20 1.00
OPRM1 P35372 1/20 0.69
OPRK1 P41145 1/20 0.69
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 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
Trelagliptin SCHEMBL19534887 1.00 DPP4 (1.00) DPP4OPRM1OPRK1CYP1A2CYP3A4
Trelagliptin SCHEMBL878010 1.00 DPP4 (1.00) DPP4OPRM1OPRK1CYP1A2CYP3A4
Trelagliptin SCHEMBL29364762 1.00 DPP4 (1.00) DPP4OPRM1OPRK1CYP1A2CYP3A4
Trelagliptin SCHEMBL28390472 1.00 DPP4 (1.00) DPP4OPRM1OPRK1CYP1A2CYP3A4
Trelagliptin SCHEMBL175727 0.94 DPP4 (1.00) DPP4OPRM1OPRK1CYP1A2CYP3A4
Trelagliptin SCHEMBL175726 0.94 DPP4 (1.00) DPP4OPRM1OPRK1CYP1A2CYP3A4
Trelagliptin SCHEMBL29349599 0.94 DPP4 (1.00) DPP4OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL27964065 0.87 DPP4 (0.86) DPP4OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL28151193 0.87 DPP4 (0.86) DPP4OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL18381012 0.86 DPP4 (0.79) DPP4OPRM1OPRK1CYP1A2CYP3A4

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
CN-110950840-B Preparation method of trelagliptin succinate 江苏天和制药有限公司 2022-03-15 CN disclosed
CN-110950840-A Preparation method of trelagliptin succinate 江苏天和制药有限公司 2020-04-03 CN disclosed
US-9809569-B2 Process for producing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-11-07 US disclosed
EP-3083580-A1 A PROCESS FOR PREPARATION OF TRELAGLIPTIN SUCCINATE Harman Finochem Limited (IN) 2016-10-26 EP disclosed
CN-105017161-A Compound, and preparation method and applications thereof NANJING BIODEALPHARM CO LTD 2015-11-04 CN disclosed
WO-2015092805-A1 A PROCESS FOR PREPARATION OF TRELAGLIPTIN SUCCINATE HARMAN FINOCHEM LIMITED (IN) 2015-06-25 WO disclosed
CN-103539791-A Modulators of the GPR119 receptor and the treatment of disorders related thereto ARENA PHARM INC 2014-01-29 CN disclosed
EP-2102185-B1 POLYMORPHS OF SUCCINATE SALT OF 2-[6-(3-AMINO-PIPERIDIN-1-YL)-3-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YLMETHY]-4-FLUOR-BENZONITRILE AND METHODS OF USE THEREFOR TAKEDA PHARMACEUTICAL (JP) 2012-08-15 EP disclosed
US-20120197018-A1 POLYMORPHS OF SUCCINATE SALT OF 2-[6-(3-AMINO-PIPERIDIN-1-YL)-3-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YLMETHY]-4-FLUOR-BENZONITRILE AND METHODS OF USE THEREFOR KELLY RON C (US) 2012-08-02 US disclosed
US-8084605-B2 Polymorphs of succinate salt of 2-[6-(3-amino-piperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethy]-4-fluor-benzonitrile and methods of use therefor SSCI, INC.AN APTUIT COMPANY 2011-12-27 US disclosed
EP-2102185-A1 POLYMORPHS OF SUCCINATE SALT OF 2-[6-(3-AMINO-PIPERIDIN-1-YL)-3-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YLMETHY]-4-FLUOR-BENZONITRILE AND METHODS OF USE THEREFOR Takeda Pharmaceutical Company Limited (JP) 2009-09-23 EP disclosed
US-20080280931-A1 POLYMORPHS OF SUCCINATE SALT OF 2-[6-(3-AMINO-PIPERIDIN-1-YL)-3-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YLMETHY]-4-FLUOR-BENZONITRILE AND METHODS OF USE THEREFOR SSCI, INC.AN APTUIT COMPANY 2008-11-13 US disclosed
US-20080227798-A1 POLYMORPHS OF SUCCINATE SALT OF 2-[6-(3-AMINO-PIPERIDIN-1-YL)-3-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YLMETHY]-4-FLUOR-BENZONITRILE AND METHODS OF USE THEREFOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-18 US disclosed
WO-2008067465-A1 POLYMORPHS OF SUCCINATE SALT OF 2-[6-(3-AMINO-PIPERIDIN-1-YL)-3-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YLMETHY]-4-FLUOR-BENZONITRILE AND METHODS OF USE THEREFOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-06-05 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 (3 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-20080227798-A1 POLYMORPHS OF SUCCINATE SALT OF 2-[6-(3-AMINO-PIPERIDIN-1-YL)-3-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YLMETHY]-4-FLUOR-BENZONITRILE AND METHODS OF USE THEREFOR SUCNR1, SLC16A1, HADHB DPP4 703/4885OPRM1 1732/4885OPRK1 1505/4885
US-20120197018-A1 POLYMORPHS OF SUCCINATE SALT OF 2-[6-(3-AMINO-PIPERIDIN-1-YL)-3-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YLMETHY]-4-FLUOR-BENZONITRILE AND METHODS OF USE THEREFOR SUCNR1, SLC16A1, HADHB DPP4 703/4885OPRM1 1732/4885OPRK1 1505/4885
US-20080280931-A1 POLYMORPHS OF SUCCINATE SALT OF 2-[6-(3-AMINO-PIPERIDIN-1-YL)-3-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YLMETHY]-4-FLUOR-BENZONITRILE AND METHODS OF USE THEREFOR SUCNR1, SLC16A1, HADHB DPP4 703/4885OPRM1 1732/4885OPRK1 1505/4885

“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.