SCHEMBL3663764

SCHEMBL3663764

Cn1c(=O)[nH]c(N2CCC[C@@H](N)C2)c(Cc2ccccc2C#N)c1=O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.59
OPRM1 P35372 1/20 0.55
OPRK1 P41145 1/20 0.55
NR3C1 P04150 1/20 0.52

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
Hydrochloric Acid SCHEMBL18209332 0.99 DPP4 (0.58) DPP4OPRM1OPRK1NR3C1
SCHEMBL987568 0.87 DPP4 (0.59) DPP4
SCHEMBL1081792 0.83 DPP4 (0.56) DPP4
SCHEMBL3063723 0.79 DPP4 (0.59) DPP4OPRM1OPRK1
SCHEMBL13139853 0.79 DPP4 (0.59) DPP4OPRM1OPRK1
SCHEMBL3069484 0.78 DPP4 (0.56) DPP4OPRM1OPRK1
SCHEMBL13139860 0.78 DPP4 (0.56) DPP4OPRM1OPRK1
SCHEMBL638480 0.77 DPP4 (0.73) DPP4
SCHEMBL3073729 0.74 DPP4 (0.54) DPP4
SCHEMBL13236880 0.74 DPP4 (0.54) DPP4

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185138-A1 SOLID PREPARATION COMPRISING ALOGLIPTIN AND METFORMIN HYDROCHLORIDE Takeda Pharmaceutical Company Limited (JP) 2010-05-19 EP claimed
EP-2124901-A1 TABLET PREPARATION WITHOUT CAUSING A TABLETING TROUBLE Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP claimed
EP-2107905-A1 SOLID PREPARATION COMPRISING ALOGLIPTIN AND PIOGLITAZONE Takeda Pharmaceutical Company Limited (JP) 2009-10-14 EP claimed
WO-2009011451-A1 SOLID PREPARATION COMPRISING ALOGLIPTIN AND METFORMIN HYDROCHLORIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-22 WO claimed
WO-2008093882-A1 SOLID PREPARATION COMPRISING ALOGLIPTIN AND PIOGLITAZONE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-07 WO claimed
WO-2008093878-A1 TABLET PREPARATION WITHOUT CAUSING A TABLETING TROUBLE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-07 WO claimed
EP-3292112-A1 PROCESS FOR THE PREPARATION OF ALOGLIPTIN Indoco Remedies Limited (IN) 2018-03-14 EP disclosed
EP-3292112-A1 PROCESS FOR THE PREPARATION OF ALOGLIPTIN Indoco Remedies Limited (IN) 2018-03-14 EP disclosed
WO-2016178246-A1 PROCESS FOR THE PREPARATION OF ALOGLIPTIN INDOCO REMEDIES LIMITED (IN) 2016-11-10 WO disclosed
WO-2016178246-A1 PROCESS FOR THE PREPARATION OF ALOGLIPTIN INDOCO REMEDIES LIMITED (IN) 2016-11-10 WO disclosed
EP-2107905-A1 SOLID PREPARATION COMPRISING ALOGLIPTIN AND PIOGLITAZONE Takeda Pharmaceutical Company Limited (JP) 2009-10-14 EP disclosed
WO-2008093882-A1 SOLID PREPARATION COMPRISING ALOGLIPTIN AND PIOGLITAZONE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-07 WO disclosed
EP-1934198-A2 POLYMORPHS OF BENZOATE SALT OF 2-[[6-[(3R)-3-AMINO-1-PIPERIDINYL]-3,4-DIHYDRO-3-METHYL-2,4-DIOXO-1(2H)-PYRIMIDINYL]METHYL]-BENZONITRILE AND METHODS OF USE THEREFOR Takeda Pharmaceutical Company Limited (JP) 2008-06-25 EP disclosed
EP-1931350-A2 ADMINISTRATION OF DIPEPTIDYL PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2008-06-18 EP disclosed
WO-2007035372-A2 POLYMORPHS OF BENZOATE SALT OF 2-[[6-[(3R)-3-AMINO-1-PIPERIDINYL]-3,4-DIHYDRO-3-METHYL-2,4-DIOXO-1(2H)-PYRIMIDINYL]METHYL]-BENZONITRILE AND METHODS OF USE THEREFOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 WO disclosed
WO-2007033266-A2 DIPEPTIDYL PEPTIDASE INHIBITORS FOR TREATING DIABETIS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-22 WO disclosed