SCHEMBL6853393

SCHEMBL6853393

Cc1nnc2n1CCN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C2

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.78
DPP8 Q6V1X1 11/20 0.78
DPP9 Q86TI2 3/20 0.75
DPP7 Q9UHL4 2/20 0.75
ACE P12821 1/20 0.75
HTR2A P28223 1/20 0.75
FAP Q12884 1/20 0.75

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
SCHEMBL7902672 1.00 DPP4 (0.78) DPP4DPP8DPP9DPP7ACE
SCHEMBL14267898 1.00 DPP4 (0.78) DPP4DPP8DPP9DPP7ACE
SCHEMBL13317131 0.92 DPP4 (0.67) DPP4DPP8DPP9DPP7ACE
SCHEMBL12767537 0.89 DPP4 (0.81) DPP4DPP8DPP9DPP7ACE
SCHEMBL15362765 0.88 DPP4 (0.62) DPP4DPP8DPP9DPP7ACE
SCHEMBL15362761 0.88 DPP4 (0.62) DPP4DPP8DPP9DPP7ACE
SCHEMBL1709088 0.88 DPP4 (0.62) DPP4DPP8DPP9DPP7ACE
SCHEMBL5487338 0.87 DPP4 (0.74) DPP4DPP8DPP9DPP7ACE
SCHEMBL5935863 0.87 DPP4 (0.74) DPP4DPP8DPP9DPP7ACE
SCHEMBL5935871 0.87 DPP4 (0.74) 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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203550-A1 USE OF STEREOSELECTIVE TRANSAMINASE IN ASYMMETRIC SYNTHESIS OF CHIRAL AMINE ABIOCHEM BIOTECHNOLOGY CO., LTD (CN) 2023-06-29 US disclosed
US-20230142248-A1 METHOD FOR RACEMIC PREPARATION OF CHIRAL B-AMINO ACIDS AND DERIVATIVES THEREOF ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
US-9938282-B2 Expedient synthesis of sitagliptin STEREOKEM, INC. (US) 2018-04-10 US disclosed
US-20180086765-A1 NOVEL INTERMEDIATES FOR PREPARING DPP-IV INHIBITORS, PREPARING METHOD THEREOF AND PREPARING METHOD OF DPP-IV INHIBITORS USING THE SAME KYUNG DONG PHARM. CO., LTD. (KR) 2018-03-29 US disclosed
US-20170183351-A1 EXPEDIENT SYNTHESIS OF SITAGLIPTIN STEREOKEM, INC. 2017-06-29 US disclosed
US-9587229-B2 Immobilized transaminases and process for making and using immobilized transaminase MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9587229-B2 Immobilized transaminases and process for making and using immobilized transaminase MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9409912-B2 Process for the preparation of sitagliptin phosphate CADILA HEALTHCARE LIMITED (IN) 2016-08-09 US disclosed
US-9187419-B2 Intermediates of sitagliptin and preparation process thereof ZHEJIANG HISOAR PHARMACEUTICAL CO., LTD. (CN) 2015-11-17 US disclosed
US-20150087834-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN PHOSPHATE CADILA HEALTHCARE LIMITED (IN) 2015-03-26 US disclosed
US-7485732-B2 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK & CO., INC. (US) 2009-02-03 US disclosed
US-7390835-B2 Aralkyl amines as cannabinoid receptor modulators MERCK & CO., INC. (US) 2008-06-24 US disclosed
EP-1756064-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2008-05-14 EP disclosed
US-20080076805-A1 Acyclic Hydrazides as Cannabinoid Receptor Modulators MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
US-7326708-B2 Phosphoric acid salt of a dipeptidyl peptidase-IV inhibitor MERCK & CO., INC. (US) 2008-02-05 US disclosed
US-20070281941-A1 Amorphous Form of a Phosphoric Acid Salt of a Dipeptidyl Peptidase-IV Inhibitor MERCK SHARP & DOHME LLC 2007-12-06 US disclosed
US-20070099884-A1 Combination therapy for the treatment of diabetes MERCK & CO., INC. 2007-05-03 US disclosed
US-20070088058-A1 3-(1(S)(4-chlorobenzyl)-2(S)-((2-hydroxy-2-methyl-1-phenylpropyl)amino)propyl)-benzonitrile; obesity; potentiation; antagonists MERCK SHARP & DOHME CORP. 2007-04-19 US disclosed
US-20070032517-A1 Substituted naphthyridinone derivatives MERCK SHARP & DOHME CORP. 2007-02-08 US disclosed
US-20070021430-A1 Novel crystalline form of a phosphoric acid salt of a dipeptidyl peptidase-iv inhibitor MERCK & CO., INC. 2007-01-25 US 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 (10 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-20070281941-A1 Amorphous Form of a Phosphoric Acid Salt of a Dipeptidyl Peptidase-IV Inhibitor DPP4, DPP7, DPP3 DPP4 1/4885DPP8 4/4885DPP9 5/4885
US-20180086765-A1 NOVEL INTERMEDIATES FOR PREPARING DPP-IV INHIBITORS, PREPARING METHOD THEREOF AND PREPARING METHOD OF DPP-IV INHIBITORS USING THE SAME DPP4, DPP7, DPP9 DPP4 1/4885DPP8 4/4885DPP9 3/4885
US-20080076805-A1 Acyclic Hydrazides as Cannabinoid Receptor Modulators CNR1, CNR2, FAAH DPP4 1050/4885DPP8 2315/4885DPP9 1603/4885
US-20150087834-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN PHOSPHATE DPP4, DPP9, SI DPP4 1/4885DPP8 9/4885DPP9 2/4885
US-20070099884-A1 Combination therapy for the treatment of diabetes GPR119, FABP4, IAPP DPP4 5/4885DPP8 35/4885DPP9 45/4885
US-20070021430-A1 Novel crystalline form of a phosphoric acid salt of a dipeptidyl peptidase-iv inhibitor DPP4, DPP7, DPP3 DPP4 1/4885DPP8 4/4885DPP9 5/4885
US-20070088058-A1 3-(1(S)(4-chlorobenzyl)-2(S)-((2-hydroxy-2-methyl-1-phenylpropyl)amino)propyl)-benzonitrile; obesity; potentiation; antagonists CNR2, CNR1, CHRNA4 DPP4 1734/4885DPP8 3701/4885DPP9 2096/4885
US-20170183351-A1 EXPEDIENT SYNTHESIS OF SITAGLIPTIN DPP4, DPP7, DPP8 DPP4 1/4885DPP8 3/4885DPP9 4/4885
US-20070032517-A1 Substituted naphthyridinone derivatives CNR1, CNR2, MAG DPP4 2758/4885DPP8 2453/4885DPP9 1851/4885
US-20230142248-A1 METHOD FOR RACEMIC PREPARATION OF CHIRAL B-AMINO ACIDS AND DERIVATIVES THEREOF GLP1R, SRR, GIPR DPP4 7/4885DPP8 19/4885DPP9 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.