Sitagliptin

Sitagliptin

SCHEMBL174489

NC(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F

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 Sitagliptin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 20/20 1.00
DPP8 Q6V1X1 12/20 1.00
DPP9 Q86TI2 3/20 1.00
DPP7 Q9UHL4 3/20 1.00
ACE P12821 1/20 1.00
HTR2A P28223 1/20 1.00
FAP Q12884 1/20 1.00

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
Sitagliptin SCHEMBL31513245 1.00 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL29421658 1.00 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL29365085 1.00 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL1289311 1.00 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL17783 1.00 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL19520418 1.00 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL30885792 0.99 DPP4 (0.98) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL572135 0.99 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL1533793 0.99 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL18131636 0.98 DPP4 (0.98) 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 488 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113430184-B Transaminase and application thereof in preparation of sitagliptin 台州酶易生物技术有限公司 2022-04-01 CN claimed
CN-113430184-A Transaminase and application thereof in preparation of sitagliptin 台州酶易生物技术有限公司 2021-09-24 CN claimed
CN-109777813-B transaminase-PLP co-immobilized enzyme and preparation and application thereof 浙江工业大学 2021-05-07 CN claimed
US-10894787-B2 Modulators of the GPR119 receptor and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2021-01-19 US claimed
EP-3323818-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2018-05-23 EP claimed
US-20170073345-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DIABETES AND PRE-DIABETES ALAPATI MOHAN MURALI (IN) 2017-03-16 US claimed
EP-2769712-A1 Pharmaceutical formulation comprising DPP-IV inhibitor agglomerates and DPP-IV inhibitor particles Siegfried International AG (CH) 2014-08-27 EP claimed
WO-2014074668-A1 MODULATORS OF GPR119 AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2014-05-15 WO claimed
US-20140066369-A1 Modulators Of The GPR119 Receptor And The Treatment Of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2014-03-06 US claimed
US-20140051629-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2014-02-20 US claimed
US-7816364-B2 GRP119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto ARENA PHARMACEUTICALS, INC. (US) 2010-10-19 US claimed
US-20100190750-A1 GPR119 Receptor Agonists in Methods of Increasing Bone Mass and of Treating Osteoporosis and Other Conditions Characterized by Low Bone Mass, and Combination Therapy Relating Thereto ARENA PHARMACEUTICALS, INC. (US) 2010-07-29 US claimed
EP-1911756-B9 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARM INC (US) 2010-05-26 EP claimed
WO-2010032264-A2 IMPROVED PROCESS FOR PREPARATION OF (2R)-4-OXO-4-[3- (TRIFLUOROMETHYL)-5,6-DIHYDRO [1,2,4]-TRIAZOLO[4,3-A]PYRAZIN- 7(8H)-YL]-L-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE & NEW IMPURITIES IN PREPARATION THEREOF CADILA HEALTHCARE LIMITED (IN) 2010-03-25 WO claimed
EP-2116235-A1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level Arena Pharmaceuticals, Inc. (US) 2009-11-11 EP claimed
EP-1911756-B1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARM INC (US) 2009-10-21 EP claimed
US-7326708-B2 Phosphoric acid salt of a dipeptidyl peptidase-IV inhibitor MERCK & CO., INC. (US) 2008-02-05 US claimed
EP-1654263-B1 PHOSPHORIC ACID SALT OF A DIPEPTIDYL PEPTIDASE-IV INHIBITOR MERCK & CO INC (US) 2007-09-12 EP claimed
US-20070098781-A1 Modified release compositions for DPP-IV inhibitors HOFFMANN-LA ROCHE INC. 2007-05-03 US claimed
US-20050032804-A1 Phosphoric acid salt of a dipeptidyl peptidase-IV inhibitor MERCK SHARP & DOHME LLC 2005-02-10 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20170073345-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DIABETES AND PRE-DIABETES DPP4, SLC5A1, SLC5A2 DPP4 1/4885DPP8 19/4885DPP9 8/4885
US-20100190750-A1 GPR119 Receptor Agonists in Methods of Increasing Bone Mass and of Treating Osteoporosis and Other Conditions Characterized by Low Bone Mass, and Combination Therapy Relating Thereto GPR119, GLP1R, GPR4 DPP4 5/4885DPP8 35/4885DPP9 14/4885
US-20050032804-A1 Phosphoric acid salt of a dipeptidyl peptidase-IV inhibitor DPP4, DPP7, DPP3 DPP4 1/4885DPP8 4/4885DPP9 5/4885
US-20070098781-A1 Modified release compositions for DPP-IV inhibitors DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP9 4/4885
US-20140051629-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO GPR119, GLP1R, DPP4 DPP4 3/4885DPP8 10/4885DPP9 7/4885
US-10894787-B2 Modulators of the GPR119 receptor and the treatment of disorders related thereto GPR119, GLP1R, DPP9 DPP4 5/4885DPP8 12/4885DPP9 3/4885
US-20140066369-A1 Modulators Of The GPR119 Receptor And The Treatment Of Disorders Related Thereto GPR119, GLP1R, SLC5A2 DPP4 6/4885DPP8 28/4885DPP9 10/4885

“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.