SCHEMBL2667453

SCHEMBL2667453

N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1ccc(F)c(F)c1

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 10/20 1.00
▸ DPP7 Q9UHL4 3/20 0.98
▸ DPP9 Q86TI2 3/20 0.79
▸ ACE P12821 1/20 0.76
▸ HTR2A P28223 1/20 0.76
▸ FAP Q12884 1/20 0.76

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
SCHEMBL15024075 1.00 DPP4 (1.00) DPP4DPP8DPP7DPP9ACE
Phosphoric Acid SCHEMBL14687437 0.96 DPP4 (0.93) DPP4DPP8DPP7DPP9ACE
SCHEMBL15042309 0.87 DPP4 (0.85) DPP4DPP8DPP7DPP9ACE
SCHEMBL2667449 0.87 DPP4 (0.78) DPP4DPP8DPP7DPP9ACE
Sitagliptin SCHEMBL31513245 0.86 DPP4 (1.00) DPP4DPP8DPP7DPP9ACE
Sitagliptin SCHEMBL29365085 0.86 DPP4 (1.00) DPP4DPP8DPP7DPP9ACE
Sitagliptin SCHEMBL17783 0.86 DPP4 (1.00) DPP4DPP8DPP7DPP9ACE
Sitagliptin SCHEMBL29421658 0.86 DPP4 (1.00) DPP4DPP8DPP7DPP9ACE
Sitagliptin SCHEMBL1289311 0.86 DPP4 (1.00) DPP4DPP8DPP7DPP9ACE
Sitagliptin SCHEMBL174489 0.86 DPP4 (1.00) DPP4DPP8DPP7DPP9ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158265-A1 SITAGLIPTIN, SALTS AND POLYMORPHS THEREOF USV LIMITED (IN) 2013-06-20 — — US claimed
EP-2547683-B1 METHOD OF PREPARING SITAGLIPTIN ZENTIVA KS (CZ) 2014-02-19 — — EP disclosed
US-20130158265-A1 SITAGLIPTIN, SALTS AND POLYMORPHS THEREOF USV LIMITED (IN) 2013-06-20 — — US disclosed
US-20130158265-A1 SITAGLIPTIN, SALTS AND POLYMORPHS THEREOF USV LIMITED (IN) 2013-06-20 — — US disclosed
US-8101626-B2 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) 2012-01-24 — — US disclosed
US-8101626-B2 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) 2012-01-24 — — US disclosed
WO-2011113399-A1 METHOD OF PREPARING SITAGLIPTIN ZENTIVA, K.S. (CZ) 2011-09-22 — — WO disclosed
US-7906503-B2 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK SHARP & DOHME CORP. (US) 2011-03-15 — — US disclosed
US-20110015164-A1 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS MEEHAN ALAN 2011-01-20 — — US disclosed
US-20110015164-A1 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS MEEHAN ALAN 2011-01-20 — — US disclosed
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 disclosed
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 disclosed
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 disclosed
US-7728141-B2 Substituted naphthyridinone derivatives MERCK SHARP & DOHME CORP. (US) 2010-06-01 — — US disclosed
US-20090270422-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. 2009-10-29 — — US disclosed
US-20090069284-A1 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK SHARP & DOHME CORP. 2009-03-12 — — US disclosed
US-7485732-B2 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK & CO., INC. (US) 2009-02-03 — — US disclosed
US-20080125403-A1 Method of Treating Men with Metabolic and Anthropometric Disorders MERCK & CO., INC. (US) 2008-05-29 — — US disclosed
WO-2004110375-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES MERCK & CO., INC. (US) 2004-12-23 — — WO disclosed
WO-2003004498-A1 BETA-AMINO TETRAHYDROIMIDAZO (1, 2-A) PYRAZINES AND TETRAHYDROTRIOAZOLO (4, 3-A) PYRAZINES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2003-01-16 — — 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-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 35/4885DPP7 16/4885
US-20130158265-A1 SITAGLIPTIN, SALTS AND POLYMORPHS THEREOF DPP4, DPP3, DPP9 DPP4 1/4885DPP8 5/4885DPP7 4/4885
US-20110015164-A1 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS CYP17A1, SHBG, CYP21A2 DPP4 158/4885DPP8 378/4885DPP7 263/4885
US-20090270422-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 35/4885DPP7 16/4885
US-20080125403-A1 Method of Treating Men with Metabolic and Anthropometric Disorders CYP17A1, SHBG, CYP21A2 DPP4 158/4885DPP8 378/4885DPP7 263/4885
US-20090069284-A1 Substituted 3-alkyl and 3-alkenyl azetidine derivatives CNR1, CNR2, MAG DPP4 1435/4885DPP8 2304/4885DPP7 1963/4885

“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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