SCHEMBL1409245

SCHEMBL1409245

N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)cc(F)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 1.00
▸ DPP8 Q6V1X1 11/20 0.80
▸ DPP9 Q86TI2 3/20 0.78
▸ DPP7 Q9UHL4 2/20 0.78
▸ ACE P12821 1/20 0.78
▸ HTR2A P28223 1/20 0.78
▸ FAP Q12884 1/20 0.78

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
SCHEMBL15024074 0.89 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
SCHEMBL12323237 0.89 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
SCHEMBL725863 0.89 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
SCHEMBL725864 0.89 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
SCHEMBL31268268 0.89 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Hydrochloric Acid SCHEMBL28963694 0.88 DPP4 (0.98) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL17783 0.87 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL174489 0.87 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL31513245 0.87 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL1289311 0.87 DPP4 (1.00) 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-20230227457-A1 IMPROVED PROCESS FOR PREPARATION OF SITAGLIPTIN AARTI PHARMALABS LIMITED (IN) 2023-07-20 — — US disclosed
US-20230227457-A1 IMPROVED PROCESS FOR PREPARATION OF SITAGLIPTIN AARTI PHARMALABS LIMITED (IN) 2023-07-20 — — US disclosed
WO-2017006335-A1 A PROCESS FOR PREPARING 7-[(3R)-3-AMINO-1-OXO-4-(2,4,5TRIFLUOROPHENYL)BUTYL]- 5,6,7,8-TETRAHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO[4,3-A]PYRAZINE PHOSPHATE MONOHYDRATE AND ITS NOVEL CRYSTALLINE FORM H HARMAN FINOCHEM LIMITED (IN) 2017-01-12 — — WO disclosed
WO-2016162877-A1 \"A PROCESS FOR PREPARING 7-[(3R)-3-AMINO-L-OXO-4-(2,4,5TRIFLUOROPHENYL)BUTYI]- 5,6,7,8-TETRAHYDRO-3-(TRIFLUOROMETHYL)-L,2,4-TRIAZOLO[4,3-A]PYRAZINE HYDROCHLORIDE MONOHYDRATE AND ITS CRYSTALLINE FORM\ HARMAN FINOCHEM LIMITED (IN) 2016-10-13 — — WO disclosed
US-20150148533-A1 New Synthetic Route For The Preparation Of Beta-aminobutyryl Substituted 5,6,7,8-tetrahydro[1,4]diazolo[4,3-alpha]Pyrazin-7-yl Compounds LEK PHARMACEUTICALS D.D. (SI) 2015-05-28 — — US disclosed
US-20150148533-A1 New Synthetic Route For The Preparation Of Beta-aminobutyryl Substituted 5,6,7,8-tetrahydro[1,4]diazolo[4,3-alpha]Pyrazin-7-yl Compounds LEK PHARMACEUTICALS D.D. (SI) 2015-05-28 — — US disclosed
EP-2477660-B1 PHARMACEUTICAL COMPOSITION COMPRISING ACTIVE AGENTS METFORMIN AND SITAGLIPTIN OR VILDAGLIPTIN RATIOPHARM GMBH (DE) 2015-02-11 — — EP disclosed
US-20120202820-A1 PHARMACEUTICAL COMPOSITION HAVING THE ACTIVE SUBSTANCES METFORMIN AND SITAGLIPTIN OR VILDAGLIPTIN RATIOPHARM GMBH (DE) 2012-08-09 — — US disclosed
EP-2477660-A1 PHARMACEUTICAL COMPOSITION HAVING THE ACTIVE SUBSTANCES METFORMIN AND SITAGLIPTIN OR VILDALIPTIN Ratiopharm GmbH (DE) 2012-07-25 — — EP disclosed
WO-2011032912-A1 PHARMACEUTICAL COMPOSITION HAVING THE ACTIVE SUBSTANCES METFORMIN AND SITAGLIPTIN OR VILDALIPTIN RATIOPHARM GMBH (DE) 2011-03-24 — — WO disclosed
EP-2295083-A1 Pharmaceutical composition comprising active agents metformin and sitagliptin or vildagliptin Ratiopharm GmbH (DE) 2011-03-16 — — EP 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-20230227457-A1 IMPROVED PROCESS FOR PREPARATION OF SITAGLIPTIN DPP4, DPP9, DPP8 DPP4 1/4885DPP8 3/4885DPP9 2/4885
US-20120202820-A1 PHARMACEUTICAL COMPOSITION HAVING THE ACTIVE SUBSTANCES METFORMIN AND SITAGLIPTIN OR VILDAGLIPTIN DPP4, DPP9, DPP7 DPP4 1/4885DPP8 5/4885DPP9 2/4885
US-20150148533-A1 New Synthetic Route For The Preparation Of Beta-aminobutyryl Substituted 5,6,7,8-tetrahydro[1,4]diazolo[4,3-alpha]Pyrazin-7-yl Compounds GABRB3, GABRB1, GABRB2 DPP4 40/4885DPP8 65/4885DPP9 288/4885

“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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