SCHEMBL1136099

SCHEMBL1136099

N/C(=C\C(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.62
▸ DPP8 Q6V1X1 9/20 0.62
▸ DPP7 Q9UHL4 3/20 0.62
▸ DPP9 Q86TI2 2/20 0.62
▸ ACE P12821 1/20 0.62
▸ HTR2A P28223 1/20 0.62
▸ FAP Q12884 1/20 0.62

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
SCHEMBL30406108 1.00 DPP4 (0.62) DPP4DPP8DPP7DPP9ACE
SCHEMBL1136100 1.00 DPP4 (0.62) DPP4DPP8DPP7DPP9ACE
SCHEMBL1136102 1.00 DPP4 (0.62) DPP4DPP8DPP7DPP9ACE
SCHEMBL17001389 0.89 DPP4 (0.59) DPP4DPP8DPP7DPP9ACE
SCHEMBL18774237 0.87 DPP4 (0.64) DPP4DPP8DPP7DPP9ACE
SCHEMBL15166497 0.87 DPP4 (0.57) DPP4DPP8DPP7DPP9ACE
SCHEMBL15080519 0.87 DPP4 (0.46) DPP4DPP8DPP7DPP9ACE
SCHEMBL16750213 0.86 DPP4 (0.56) DPP4DPP8DPP7DPP9ACE
SCHEMBL13637938 0.86 DPP4 (0.50) DPP4DPP8DPP7DPP9ACE
SCHEMBL21497518 0.85 DPP4 (0.55) 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 146 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111204094-A TPEE acoustic film and production method thereof 苏州市新广益电子有限公司 2020-05-29 — — CN claimed
US-8476437-B2 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 and new impurities in preparation thereof CADILA HEALTHCARE LIMITED (IN) 2013-07-02 — — US claimed
US-20110213149-A1 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) 2011-09-01 — — US claimed
EP-2331545-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) 2011-06-15 — — EP claimed
US-20100274017-A1 PROCESSES FOR THE PREPARATION OF SITAGLIPTIN AND PHARMACEUTICLLY ACCEPTABLE SALTS THEREOF DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-28 — — US claimed
EP-2220093-A2 PROCESSES FOR THE PREPARATION OF SITAGLIPTIN AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF Dr. Reddy's Laboratories Ltd. (IN) 2010-08-25 — — 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
WO-2009085990-A2 PROCESSES FOR THE PREPARATION OF SITAGLIPTIN AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF DR. REDDY'S LABORATORIES LIMITED (IN) 2009-07-09 — — WO claimed
WO-2023181046-A1 RECYCLABLE BIOCATALYTIC PROCESS FOR PREPARATION OF SITAGLIPTIN IOL CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2023-09-28 — — WO disclosed
US-20220048917-A1 HIGHLY EFFICIENT PROCESS FOR THE PREPARATION OF SITAGLIPTIN VIA RHODIUM CATALYZED ASYMMETRIC HYDROGENATION COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2022-02-17 — — US disclosed
US-11174266-B2 Efficient process for the preparation of sitagliptin F.I.S.—Fabbrica Italiana Sintetici S.p.A. (IT) 2021-11-16 — — US disclosed
US-20210061808-A1 NEW EFFICIENT PROCESS FOR THE PREPARATION OF SITAGLIPTIN F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2021-03-04 — — US disclosed
WO-2020121321-A1 HIGHLY EFFICIENT PROCESS FOR THE PREPARATION OF SITAGLIPTIN VIA RHODIUM CATALYZED ASYMMETRIC HYDROGENATION COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-06-18 — — WO disclosed
US-10450315-B2 Process for the preparation of dipeptidyl peptidase-4 (DPP-4) enzyme inhibitor LEE PHARMA LIMITED (IN) 2019-10-22 — — US disclosed
WO-2006033848-A1 AMORPHOUS FORM OF A PHOSPHORIC ACID SALT OF A DIPEPTIDYL PEPTIDASE-IV INHIBITOR MERCK & CO., INC. (US) 2006-03-30 — — WO disclosed
WO-2005072530-A1 NOVEL CRYSTALLINE SALTS OF A DIPEPTIDYL PEPTIDASE-IV INHIBITOR MERCK & CO., INC. (US) 2005-08-11 — — WO disclosed
WO-2005030127-A2 NOVEL CRYSTALLINE FORM OF A PHOSPHORIC ACID SALT OF A DIPEPTIDYL PEPTIDASE-IV INHIBITOR MERCK & CO., INC. (US) 2005-04-07 — — WO disclosed
US-20050032804-A1 Phosphoric acid salt of a dipeptidyl peptidase-IV inhibitor MERCK SHARP & DOHME LLC 2005-02-10 — — US disclosed
WO-2005003135-A1 PHOSPHORIC ACID SALT OF A DIPEPTIDYL PEPTIDASE-IV INHIBITOR MERCK & CO., INC. (US) 2005-01-13 — — WO disclosed
WO-2004085378-A1 PROCESS FOR THE PREPARATION OF CHIRAL BETA AMINO ACID DERIVATIVES BY ASYMMETRIC HYDROGENATION MERCK & CO. INC. (US) 2004-10-07 — — 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 (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-20210061808-A1 NEW EFFICIENT PROCESS FOR THE PREPARATION OF SITAGLIPTIN DPP4, DPP9, DPP7 DPP4 1/4885DPP8 4/4885DPP7 3/4885
US-11174266-B2 Efficient process for the preparation of sitagliptin DPP4, DPP9, DPP7 DPP4 1/4885DPP8 5/4885DPP7 3/4885
US-20220048917-A1 HIGHLY EFFICIENT PROCESS FOR THE PREPARATION OF SITAGLIPTIN VIA RHODIUM CATALYZED ASYMMETRIC HYDROGENATION DPP4, DPP7, DPP9 DPP4 1/4885DPP8 14/4885DPP7 2/4885
US-20050032804-A1 Phosphoric acid salt of a dipeptidyl peptidase-IV inhibitor DPP4, DPP7, DPP3 DPP4 1/4885DPP8 4/4885DPP7 2/4885
US-20110213149-A1 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 BPNT1, GART, SLC7A1 DPP4 1094/4885DPP8 1642/4885DPP7 1029/4885
US-20100274017-A1 PROCESSES FOR THE PREPARATION OF SITAGLIPTIN AND PHARMACEUTICLLY ACCEPTABLE SALTS THEREOF DPP4, DPP9, DPP8 DPP4 1/4885DPP8 3/4885DPP7 5/4885
US-10450315-B2 Process for the preparation of dipeptidyl peptidase-4 (DPP-4) enzyme inhibitor DPP4, DPP7, DPP3 DPP4 1/4885DPP8 5/4885DPP7 2/4885

“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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