SCHEMBL212149

SCHEMBL212149

FC(F)(F)c1nnc2n1CCNC2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.36
DPP4 P27487 14/20 0.35
LIPG Q9Y5X9 1/20 0.34
BRD4 O60885 1/20 0.32
DPP8 Q6V1X1 4/20 0.31
FAP Q12884 2/20 0.31
DPP9 Q86TI2 2/20 0.30
ACE P12821 1/20 0.30
HTR2A P28223 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
Hydrochloric Acid SCHEMBL332198 0.98 MGLL (0.35) MGLLDPP4LIPGBRD4DPP8
Hydrochloric Acid SCHEMBL3841448 0.89 DPP4 (0.33) MGLLDPP4LIPGBRD4DPP8
SCHEMBL19005845 0.86 MGLL (0.37) MGLLLIPG
SCHEMBL1971368 0.86 MGLL (0.34) MGLLDPP4LIPGDPP8DPP7
SCHEMBL3841455 0.84 DPP4 (0.34) DPP4BRD4DPP8FAPHTR2A
SCHEMBL32679285 0.82
SCHEMBL13093275 0.81 MGLL (0.33) MGLL
SCHEMBL19005247 0.79 MGLL (0.34) MGLL
Hydrochloric Acid SCHEMBL573084 0.77 MGLL (0.34) MGLL
SCHEMBL4244840 0.76 MGLL (0.31) MGLL

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 677 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930453-A Sitagliptin intermediate and preparation method thereof 浙江九洲药业股份有限公司 2025-05-06 CN claimed
CN-119335072-A Detection method of hydrazine compounds and application thereof 广东东阳光药业股份有限公司 2025-01-21 CN claimed
CN-119086788-A HPLC detection method for sitagliptin phosphate bulk drug and related substances thereof 常州制药厂有限公司 2024-12-06 CN claimed
WO-2024119985-A1 METHOD FOR PREPARING SITAGLIPTIN INTERMEDIATE PYRAZINE HYDROCHLORIDE 台州达辰药业有限公司 2024-06-13 WO claimed
US-20240024312-A1 PHARMACEUTICAL COMPOSITIONS OF SITAGLIPTIN ZYDUS LIFESCIENCES LIMITED (IN) 2024-01-25 US claimed
CN-117003758-A Preparation method for synthesizing sitagliptin 南通常佑药业科技有限公司 2023-11-07 CN claimed
CN-113801903-B Biosynthesis method of sitagliptin intermediate 江苏八巨药业有限公司 2023-08-15 CN claimed
CN-116082342-A Preparation method of sitagliptin intermediate pyrazine hydrochloride 台州达辰药业有限公司 2023-05-09 CN claimed
WO-2023012819-A1 RECOMBINANT TRANSAMINASE POLYPEPTIDES QUANTUMZYME LLP (IN) 2023-02-09 WO claimed
WO-2020109938-A1 PROCESSES FOR THE PREPARATION OF SITAGLIPTIN AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF DR. REDDY'S LABORATORIES LIMITED (IN) 2020-06-04 WO claimed
US-8846916-B2 Sitagliptin synthesis GENERICS [UK] LIMITED (GB) 2014-09-30 US claimed
WO-2014086325-A1 A METHOD OF PREPARING 3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOIC ACID DERIVATIVES ZENTIVA, K.S. (CZ) 2014-06-12 WO claimed
WO-2014023930-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND INTERMEDIATE COMPOUNDS CIPLA LIMITED (IN) 2014-02-13 WO claimed
EP-2331545-B1 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 LTD (IN) 2013-10-02 EP claimed
WO-2013114173-A1 A NOVEL PROCESS FOR THE PREPARATION OF SITAGLIPTIN SMILAX LABORATORIES LIMITED (IN) 2013-08-08 WO claimed
EP-2609099-A2 SITAGLIPTIN, SALTS AND POLYMORPHS THEREOF USV Limited (IN) 2013-07-03 EP claimed
WO-2012025944-A2 SITAGLIPTIN, SALTS AND POLYMORPHS THEREOF USV LIMITED (IN) 2012-03-01 WO claimed
EP-2423178-A1 Process for the production of sitagliptin Chemo Ibérica, S.A. (ES) 2012-02-29 EP claimed
WO-2011102640-A2 METHOD FOR PREPARING SITAGLIPTIN AND AMINE SALT INTERMEDIATES USED THEREIN HANMI HOLDINGS CO., LTD. (KR) 2011-08-25 WO claimed
WO-2010122578-A2 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2010-10-28 WO 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 (1 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-20240024312-A1 PHARMACEUTICAL COMPOSITIONS OF SITAGLIPTIN DPP4, NT5C, DPP7 MGLL 3228/4885DPP4 1/4885LIPG 2170/4885

“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.