SCHEMBL389683

SCHEMBL389683

Cn1c(=O)cc(Cl)n(Cc2ccccc2C#N)c1=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.57
OPRM1 P35372 1/20 0.57
OPRK1 P41145 1/20 0.57
KMT2A Q03164 2/20 0.53
PARG Q86W56 2/20 0.47
NOX4 Q9NPH5 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
CYP3A4 P08684 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43

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
SCHEMBL8217921 0.88 DPP4 (0.54) DPP4OPRM1OPRK1KMT2ANOX4
SCHEMBL21253391 0.87 DPP4 (0.47) DPP4OPRM1OPRK1KMT2APARG
SCHEMBL16845919 0.87 KMT2A (0.51) DPP4OPRM1OPRK1KMT2APARG
SCHEMBL8216924 0.86 DPP4 (0.64) DPP4OPRM1OPRK1KMT2ANOX4
SCHEMBL28406812 0.85 DPP4 (0.58) DPP4OPRM1OPRK1KMT2APARG
SCHEMBL17036598 0.85 DPP4 (0.58) DPP4OPRM1OPRK1KMT2APARG
SCHEMBL8417573 0.84 DPP4 (0.57) DPP4OPRM1OPRK1KMT2APARG
SCHEMBL10065404 0.84 CYP3A4 (0.60) DPP4OPRM1OPRK1KMT2APARG
SCHEMBL16845920 0.84 DPP4 (0.54) DPP4OPRM1OPRK1KMT2APARG
SCHEMBL305972 0.84 DPP4 (0.59) DPP4OPRM1OPRK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057685-A Preparation method of alogliptin benzoate with high yield 西安新通药物研究有限公司 2022-02-18 CN claimed
CN-109810094-B Preparation method of alogliptin 深圳市第二人民医院 2021-11-12 CN claimed
CN-113307777-A Alogliptin benzoate intermediate and preparation method of Alogliptin benzoate 石药集团欧意药业有限公司 2021-08-27 CN claimed
CN-112759576-A Novel preparation process of alogliptin benzoate 山东永丞制药有限公司 2021-05-07 CN claimed
CN-112341432-A Synthesis process of alogliptin benzoate 重庆化工职业学院 2021-02-09 CN claimed
CN-112250664-A Preparation method of alogliptin benzoate 辰欣药业股份有限公司 2021-01-22 CN claimed
CN-111110684-A Compositions containing a mixture of pyrimidinedione derivatives and uses thereof 黄泳华 2020-05-08 CN claimed
CN-110642833-A Dynamic resolution method of R-configuration alogliptin and preparation method of high-purity R-configuration alogliptin 株洲千金药业股份有限公司 2020-01-03 CN claimed
EP-3292112-B1 PROCESS FOR THE PREPARATION OF ALOGLIPTIN INDOCO REMEDIES LTD (IN) 2019-08-14 EP claimed
US-20190023683-A1 PROCESS FOR THE PREPARATION OF ALOGLIPTIN INDOCO REMEDIES LIMITED (IN) 2019-01-24 US claimed
CN-103819450-B A kind of new preparation process of SYR-322 浙江永宁药业股份有限公司 2016-08-24 CN claimed
CN-104151291-B A kind of preparation method of SYR-322 polymorph crystals JIANGSU DEYUAN PHARMACEUTICAL CO., LTD. (CN) 2016-01-20 CN claimed
CN-103980249-B A kind of process for purification of SYR-322 XINXING MEDICAMENT DEVELOPMENT CO., LTD., ANHUI PROV. (CN) 2016-01-20 CN claimed
CN-104672210-A Preparation method of alogliptin and alogliptin benzoate UNIV PEKING FOUNDER GROUP CO 2015-06-03 CN claimed
US-8188275-B2 hydrolase enzyme inhibors such as 2-(6-Chloro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzonitrile TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-29 US claimed
US-20080108808-A1 DIPEPTIDYL PEPTIDASE INHIBITORS FENG JUN 2008-05-08 US claimed
CN-1926128-A Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO INC (JP) 2007-03-07 CN claimed
US-20050261271-A1 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. 2005-11-24 US claimed
EP-1586571-A1 Dipeptidyl peptidase inhibitors Takeda San Diego, Inc. (US) 2005-10-19 EP claimed
WO-2005095381-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-13 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 (3 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-20190023683-A1 PROCESS FOR THE PREPARATION OF ALOGLIPTIN DPP4, SLC5A1, SLC5A2 DPP4 1/4885OPRM1 3272/4885OPRK1 2298/4885
US-20050261271-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP9 DPP4 1/4885OPRM1 2340/4885OPRK1 3648/4885
US-20080108808-A1 DIPEPTIDYL PEPTIDASE INHIBITORS DPP4, DPP3, DPP9 DPP4 1/4885OPRM1 2340/4885OPRK1 3648/4885

“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.