Denagliptin

Denagliptin

SCHEMBL4801510

Cc1ccc(S(=O)(=O)O)cc1.N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.76
FAP Q12884 8/20 0.55
DPP7 Q9UHL4 7/20 0.55
DPP8 Q6V1X1 7/20 0.55
DPP9 Q86TI2 7/20 0.55

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
SCHEMBL13986697 0.92 DPP4 (0.89) DPP4FAPDPP7DPP8DPP9
Denagliptin SCHEMBL18815071 0.87 DPP4 (1.00) DPP4FAPDPP7DPP8DPP9
Denagliptin SCHEMBL2552817 0.87 DPP4 (1.00) DPP4FAPDPP7DPP8DPP9
Denagliptin SCHEMBL682185 0.87 DPP4 (1.00) DPP4FAPDPP7DPP8DPP9
Denagliptin SCHEMBL987759 0.87 DPP4 (1.00) DPP4FAPDPP7DPP8DPP9
Denagliptin SCHEMBL1035624 0.87 DPP4 (1.00) DPP4FAPDPP7DPP8DPP9
Denagliptin SCHEMBL3151455 0.86 DPP4 (0.98) DPP4FAPDPP7DPP8DPP9
SCHEMBL12350113 0.78 DPP4 (0.77) DPP4FAPDPP7DPP8DPP9
SCHEMBL5549926 0.78 DPP4 (0.80) DPP4FAPDPP7DPP8DPP9
Hydrochloric Acid SCHEMBL3157260 0.77 DPP4 (0.79) DPP4FAPDPP7DPP8DPP9

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462641-B2 (2S,4S)-4-fluoro-1-[4-fluoro-beta-(4-fluorophenyl)-L-phenylalanyl]-2-pyrrolidinecarbonitrile p-toluenesulfonic acid salt and anhydrous crystalline forms thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-12-09 US claimed
EP-1654226-B1 (2S,4S)-4-FLUORO-1- 4-FLUORO-BETA-(4-FLUOROPHENYL)-L-PHENYLALANYL -2-PYRROLIDINECARBONITRILE P-TOLUENESULFONIC ACID SALT AND ANHYDROUS CRYSTALLINE FORMS THEREOF SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP claimed
US-20070066677-A1 (2S,4s)-4-fluoro-1-[4-fluoro-beta-(4-fluorophenyl)-I-phenylalanyl]-2-pyrrolidinecarbonitrile p-toluenesulfonic acid salt and anhydrous crystalline forms thereof SMITHKLINE BEECHAM CORPORATION 2007-03-22 US claimed
EP-1654226-A1 (2S,4S)-4-FLUORO-1- 4-FLUORO-BETA-(4-FLUOROPHENYL)-L-PHENYLALANYL -2-PYRROLIDINECARBONITRILE P-TOLUENESULFONIC ACID SALT AND ANHYDROUS CRYSTALLINE FORMS THEREOF SmithKline Beecham Corporation (US) 2006-05-10 EP claimed
WO-2005009956-A1 (2S,4S)-4-FLUORO-1-[4-FLUORO-BETA-(4-FLUOROPHENYL)-L-PHENYLALANYL]-2-PYRROLIDINECARBONITRILE P-TOLUENESULFONIC ACID SALT AND ANHYDROUS CRYSTALLINE FORMS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2005-02-03 WO claimed
US-20260144787-A1 COMPOSITIONS AND METHODS FOR TREATING STIMULANT-INDUCED AGITATION MARSHALL UNIVERSITY RESEARCH CORPORATION (US) 2026-05-28 US disclosed
US-12640229-B1 Methods and systems for leveraging links between phenotypic and genotypic data for plants MONSANTO TECHNOLOGY LLC (US) 2026-05-26 US disclosed
US-12390422-B2 Transdermal drug delivery patch, drug delivery system and drug delivery Passport Technologies, Inc. (US) 2025-08-19 US disclosed
EP-3453403-B1 DPP-IV INHIBITOR COMBINED WITH A FURTHER ANTIDIABETIC AGENT, TABLETS COMPRISING SUCH FORMULATIONS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2025-01-22 EP disclosed
US-12115179-B2 Pharmaceutical composition, methods for treating and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-10-15 US disclosed
US-20240307403-A1 DPP-IV INHIBITOR COMBINED WITH A FURTHER ANTIDIABETIC AGENT, TABLETS COMPRISING SUCH FORMULATIONS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2024-09-19 US disclosed
US-20230338386-A1 DPP-IV INHIBITOR COMBINED WITH A FURTHER ANTIDIABETIC AGENT, TABLETS COMPRISING SUCH FORMULATIONS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2023-10-26 US disclosed
US-20070066677-A1 (2S,4s)-4-fluoro-1-[4-fluoro-beta-(4-fluorophenyl)-I-phenylalanyl]-2-pyrrolidinecarbonitrile p-toluenesulfonic acid salt and anhydrous crystalline forms thereof SMITHKLINE BEECHAM CORPORATION 2007-03-22 US disclosed
US-20070066677-A1 (2S,4s)-4-fluoro-1-[4-fluoro-beta-(4-fluorophenyl)-I-phenylalanyl]-2-pyrrolidinecarbonitrile p-toluenesulfonic acid salt and anhydrous crystalline forms thereof SMITHKLINE BEECHAM CORPORATION 2007-03-22 US disclosed
CN-1852893-A (2S,4S)-4-fluoro-1-[4-fluoro-beta-(4-fluorophenyl)-L-phenylalanyl]-2-pyrrolidinecarbonitrile p-toluenesulfonic acid salt and anhydrous crystalline forms thereof SMITHKLINE BEECHAM CORP (US) 2006-10-25 CN disclosed
CN-1852893-A (2S,4S)-4-fluoro-1-[4-fluoro-beta-(4-fluorophenyl)-L-phenylalanyl]-2-pyrrolidinecarbonitrile p-toluenesulfonic acid salt and anhydrous crystalline forms thereof SMITHKLINE BEECHAM CORP (US) 2006-10-25 CN disclosed
EP-1654226-A1 (2S,4S)-4-FLUORO-1- 4-FLUORO-BETA-(4-FLUOROPHENYL)-L-PHENYLALANYL -2-PYRROLIDINECARBONITRILE P-TOLUENESULFONIC ACID SALT AND ANHYDROUS CRYSTALLINE FORMS THEREOF SmithKline Beecham Corporation (US) 2006-05-10 EP disclosed
EP-1654226-A1 (2S,4S)-4-FLUORO-1- 4-FLUORO-BETA-(4-FLUOROPHENYL)-L-PHENYLALANYL -2-PYRROLIDINECARBONITRILE P-TOLUENESULFONIC ACID SALT AND ANHYDROUS CRYSTALLINE FORMS THEREOF SmithKline Beecham Corporation (US) 2006-05-10 EP disclosed
WO-2005009956-A1 (2S,4S)-4-FLUORO-1-[4-FLUORO-BETA-(4-FLUOROPHENYL)-L-PHENYLALANYL]-2-PYRROLIDINECARBONITRILE P-TOLUENESULFONIC ACID SALT AND ANHYDROUS CRYSTALLINE FORMS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2005-02-03 WO disclosed
WO-2005009956-A1 (2S,4S)-4-FLUORO-1-[4-FLUORO-BETA-(4-FLUOROPHENYL)-L-PHENYLALANYL]-2-PYRROLIDINECARBONITRILE P-TOLUENESULFONIC ACID SALT AND ANHYDROUS CRYSTALLINE FORMS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2005-02-03 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 (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-12640229-B1 Methods and systems for leveraging links between phenotypic and genotypic data for plants MSL1, MOK, VARS1 DPP4 4169/4885FAP 4813/4885DPP7 3239/4885
US-20240307403-A1 DPP-IV INHIBITOR COMBINED WITH A FURTHER ANTIDIABETIC AGENT, TABLETS COMPRISING SUCH FORMULATIONS, THEIR USE AND PROCESS FOR THEIR PREPARATION DPP4, DPP3, DPP7 DPP4 1/4885FAP 27/4885DPP7 3/4885
US-12115179-B2 Pharmaceutical composition, methods for treating and uses thereof SLC5A1, SLC5A2, DPP4 DPP4 3/4885FAP 497/4885DPP7 4/4885
US-20070066677-A1 (2S,4s)-4-fluoro-1-[4-fluoro-beta-(4-fluorophenyl)-I-phenylalanyl]-2-pyrrolidinecarbonitrile p-toluenesulfonic acid salt and anhydrous crystalline forms thereof PFAS, TTR, PNN DPP4 283/4885FAP 28/4885DPP7 943/4885
US-20260144787-A1 COMPOSITIONS AND METHODS FOR TREATING STIMULANT-INDUCED AGITATION OPRM1, CHRM4, DRD2 DPP4 2943/4885FAP 4588/4885DPP7 4208/4885
US-20230338386-A1 DPP-IV INHIBITOR COMBINED WITH A FURTHER ANTIDIABETIC AGENT, TABLETS COMPRISING SUCH FORMULATIONS, THEIR USE AND PROCESS FOR THEIR PREPARATION DPP4, DPP3, DPP7 DPP4 1/4885FAP 27/4885DPP7 3/4885

“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.