SCHEMBL820500

SCHEMBL820500

COC(=O)C1=C(C)NC(C)=C(C(=O)OCCC#N)C1c1cccc(Cl)c1Cl

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.74
KDM4E B2RXH2 3/20 0.74
ABCB11 O95342 3/20 0.74
TBXA2R P21731 3/20 0.74
ADRA1A P35348 3/20 0.74
SLC6A3 Q01959 3/20 0.74
ADORA3 P0DMS8 3/20 0.74
MEN1 O00255 2/20 0.74
CYP1A2 P05177 2/20 0.74
CYP3A4 P08684 2/20 0.74
CYP2C19 P33261 2/20 0.74
KMT2A Q03164 2/20 0.74
HIF1A Q16665 2/20 0.74
HSD17B10 Q99714 2/20 0.74
TSHR P16473 2/20 0.74
ABCB1 P08183 2/20 0.74
ADRB3 P13945 2/20 0.74
OPRK1 P41145 2/20 0.74
SCN5A Q14524 2/20 0.74
ALDH1A1 P00352 2/20 0.74

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
SCHEMBL29808878 1.00 CYP2C9 (0.74) CYP2C9KDM4EABCB11TBXA2RADRA1A
SCHEMBL8518663 0.92 ABCB11 (0.61) CYP2C9KDM4EABCB11TBXA2RADRA1A
SCHEMBL8913291 0.87 CYP2C9 (0.81) CYP2C9KDM4EABCB11TBXA2RADRA1A
SCHEMBL9485314 0.87 CYP2C9 (0.81) CYP2C9KDM4EABCB11TBXA2RADRA1A
SCHEMBL7283648 0.87 CYP2C9 (0.81) CYP2C9KDM4EABCB11TBXA2RADRA1A
SCHEMBL10823894 0.86 CYP2C9 (0.79) CYP2C9KDM4EABCB11TBXA2RADRA1A
Felodipine SCHEMBL13460298 0.86 CYP2C9 (1.00) CYP2C9KDM4EABCB11TBXA2RADRA1A
(R)-Felodipine SCHEMBL54486 0.86 CYP2C9 (1.00) CYP2C9KDM4EABCB11TBXA2RADRA1A
Felodipine SCHEMBL26398 0.86 CYP2C9 (1.00) CYP2C9KDM4EABCB11TBXA2RADRA1A
Felodipine SCHEMBL920025 0.86 CYP2C9 (1.00) CYP2C9KDM4EABCB11TBXA2RADRA1A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835632-A Preparation method and application of clevidipine butyrate intermediate 广东赛烽医药科技有限公司 2022-08-02 CN claimed
CN-107449834-B Method for detecting clevidipine and related substances in fat emulsion injection thereof 江苏正大丰海制药有限公司 2020-04-07 CN claimed
CN-114835632-B Preparation method and application of clevidipine butyrate intermediate 广东赛烽医药科技有限公司 2024-03-22 CN disclosed
CN-114835632-B Preparation method and application of clevidipine butyrate intermediate 广东赛烽医药科技有限公司 2024-03-22 CN disclosed
CN-114835632-A Preparation method and application of clevidipine butyrate intermediate 广东赛烽医药科技有限公司 2022-08-02 CN disclosed
CN-114835632-A Preparation method and application of clevidipine butyrate intermediate 广东赛烽医药科技有限公司 2022-08-02 CN disclosed
CN-107449834-B Method for detecting clevidipine and related substances in fat emulsion injection thereof 江苏正大丰海制药有限公司 2020-04-07 CN disclosed
EP-3020704-A2 CRYSTALLINE POLYMORPHS OF CLEVIDIPINE BUTYRATE Laboratorios Lesvi, S.L. (ES) 2016-05-18 EP disclosed
EP-2386544-B1 Preparation of dihydropyridines LESVI LABORATORIOS SL (ES) 2016-02-10 EP disclosed
US-8455655-B2 Preparation of dihydropyridines LABORATORIOS LESVI, S.L. (ES) 2013-06-04 US disclosed
WO-2012069989-A1 PROCESS FOR PREPARATION OF CLEVIDIPINE AND ITS INTERMEDIATE CADILA PHARMACEUTICALS LIMITED (IN) 2012-05-31 WO disclosed
EP-2386544-A1 Preparation of dihydropyridines Laboratorios Lesvi, S.L. (ES) 2011-11-16 EP disclosed
US-20110275825-A1 PREPARATION OF DIHYDROPYRIDINES LABORATORIOS LESVI, S.A. (ES) 2011-11-10 US disclosed
US-20110253123-A1 FLOW DIRECTING DEVICE FOR A COOKING APPLIANCE RATIONAL AG (DE) 2011-10-20 US disclosed
EP-1133473-B1 NEW MANUFACTURING PROCESS ASTRAZENECA AB (SE) 2003-04-09 EP disclosed
US-6350877-B1 MANUFACTURE OF CLEVIDIPINE BY SALT FORMATION ESTERIFICATION ASTRAZENECA AB (SE) 2002-02-26 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 (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-20110275825-A1 PREPARATION OF DIHYDROPYRIDINES CACNA1C, CACNA1D, CACNB4 CYP2C9 187/4885KDM4E 885/4885ABCB11 1091/4885

“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.