SCHEMBL6876334

SCHEMBL6876334

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

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.61
▸ DPP8 Q6V1X1 9/20 0.61
▸ DPP7 Q9UHL4 3/20 0.61
▸ DPP9 Q86TI2 2/20 0.61
▸ ACE P12821 1/20 0.61
▸ HTR2A P28223 1/20 0.61
▸ FAP Q12884 1/20 0.61

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
SCHEMBL16993655 1.00 DPP4 (0.61) DPP4DPP8DPP7DPP9ACE
SCHEMBL23269993 1.00 DPP4 (0.61) DPP4DPP8DPP7DPP9ACE
SCHEMBL30104180 1.00 DPP4 (0.61) DPP4DPP8DPP7DPP9ACE
SCHEMBL19042587 0.90 DPP4 (0.59) DPP4DPP8DPP7DPP9ACE
SCHEMBL19042589 0.88 DPP4 (0.57) DPP4DPP8DPP7DPP9ACE
SCHEMBL19036875 0.85 DPP4 (0.46) DPP4DPP8DPP7DPP9ACE
SCHEMBL14919832 0.83 DPP4 (0.66) DPP4DPP8DPP7DPP9ACE
SCHEMBL1136100 0.82 DPP4 (0.62) DPP4DPP8DPP7DPP9ACE
SCHEMBL30406108 0.82 DPP4 (0.62) DPP4DPP8DPP7DPP9ACE
SCHEMBL1136102 0.82 DPP4 (0.62) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115754078-A Method for detecting related substances of sitagliptin phosphate 湖北省宏源药业科技股份有限公司 2023-03-07 — — CN claimed
CN-115754078-B Method for detecting sitagliptin phosphate related substances 湖北省宏源药业科技股份有限公司 2025-02-18 — — CN disclosed
CN-117883447-A Sitagliptin metformin sustained release tablet 南京正大天晴制药有限公司 2024-04-16 — — CN disclosed
CN-114075201-B Preparation method of sitagliptin impurity 北京新康哌森医药科技有限公司 2023-08-22 — — CN disclosed
CN-115754078-A Method for detecting related substances of sitagliptin phosphate 湖北省宏源药业科技股份有限公司 2023-03-07 — — CN disclosed
US-20220387427-A1 ORAL GLIPTIN COMPOSITIONS AND METHOD FOR PREPARATION THEREOF PHARMA-DATA RESEARCH AND DEVELOPMENT SINGLE MEMBER S.A. (GR) 2022-12-08 — — US disclosed
CN-114075201-A Preparation method of sitagliptin impurity 北京新康哌森医药科技有限公司 2022-02-22 — — CN disclosed
WO-2020130502-A1 PHARMACEUTICAL COMPOSITION COMPRISING EMPAGLIFLOZIN AND SITAGLIPTIN (주)휴온스 2020-06-25 — — WO disclosed
US-9938282-B2 Expedient synthesis of sitagliptin STEREOKEM, INC. (US) 2018-04-10 — — US disclosed
US-9938282-B2 Expedient synthesis of sitagliptin STEREOKEM, INC. (US) 2018-04-10 — — US disclosed
US-9938282-B2 Expedient synthesis of sitagliptin STEREOKEM, INC. (US) 2018-04-10 — — US disclosed
US-20170183351-A1 EXPEDIENT SYNTHESIS OF SITAGLIPTIN STEREOKEM, INC. 2017-06-29 — — US disclosed
US-20170183351-A1 EXPEDIENT SYNTHESIS OF SITAGLIPTIN STEREOKEM, INC. 2017-06-29 — — US disclosed
US-20170183351-A1 EXPEDIENT SYNTHESIS OF SITAGLIPTIN STEREOKEM, INC. 2017-06-29 — — US disclosed
EP-3102580-A2 EXPEDIENT SYNTHESIS OF SITAGLIPTIN Stereokem Inc. (USA) (US) 2016-12-14 — — EP disclosed
WO-2015120111-A2 EXPEDIENT SYNTHESIS OF SITAGLIPTIN STEREOKEM, INC. (USA) (US) 2015-08-13 — — WO disclosed
WO-2015120111-A2 EXPEDIENT SYNTHESIS OF SITAGLIPTIN STEREOKEM, INC. (USA) (US) 2015-08-13 — — WO disclosed
WO-2011060213-A2 PREPARATION OF SITAGLIPTIN AND SALTS THEREOF DR. REDDY'S LABORATORIES LTD. (IN) 2011-05-19 — — WO disclosed
WO-2010122578-A2 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2010-10-28 — — 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 (2 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-20170183351-A1 EXPEDIENT SYNTHESIS OF SITAGLIPTIN DPP4, DPP7, DPP8 DPP4 1/4885DPP8 3/4885DPP7 2/4885
US-20220387427-A1 ORAL GLIPTIN COMPOSITIONS AND METHOD FOR PREPARATION THEREOF GCG, GLI2, GCKR DPP4 83/4885DPP8 67/4885DPP7 99/4885

“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.

Send feedback