SCHEMBL3435816

SCHEMBL3435816

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCCl)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 11/20 0.88
CACNA1D Q01668 11/20 0.88
CACNA1S Q13698 11/20 0.88
CACNA1C Q13936 11/20 0.88
ADORA3 P0DMS8 1/20 0.85
MEN1 O00255 4/20 0.79
CYP1A2 P05177 4/20 0.79
CYP3A4 P08684 4/20 0.79
CYP2C9 P11712 4/20 0.79
CYP2C19 P33261 4/20 0.79
KMT2A Q03164 4/20 0.79
HIF1A Q16665 3/20 0.79
MAPT P10636 3/20 0.79
LMNA P02545 3/20 0.79
CYP2D6 P10635 2/20 0.79
TSHR P16473 2/20 0.79
NFKB1 P19838 2/20 0.79
THPO P40225 2/20 0.79
POLB P06746 1/20 0.79
MAPK1 P28482 1/20 0.79

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
SCHEMBL7275184 0.97 CACNA1F (0.82) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL3433831 0.94 CACNA1F (0.88) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL3435101 0.93 HIF1A (0.81) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7430479 0.93 MEN1 (0.80) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7275191 0.93 CACNA1F (0.76) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7275200 0.93 CACNA1F (0.76) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL2574894 0.92 CACNA1F (1.00) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10823969 0.92 CACNA1F (0.85) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10824020 0.91 CACNA1F (0.87) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7282379 0.91 CACNA1F (0.76) CACNA1FCACNA1DCACNA1SCACNA1CADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163907-B2 Dihydropyridine calcium antagonist compounds, preparation methods, and medical uses thereof COSUNTER PHARMACEUTICAL COMPANY (CN) 2012-04-24 US disclosed
US-8163907-B2 Dihydropyridine calcium antagonist compounds, preparation methods, and medical uses thereof COSUNTER PHARMACEUTICAL COMPANY (CN) 2012-04-24 US disclosed
US-20110201811-A1 DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS, AND MEDICAL USES THEREOF COSUNTER PHARMACEUTICAL COMPANY (CN) 2011-08-18 US disclosed
US-20110201811-A1 DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS, AND MEDICAL USES THEREOF COSUNTER PHARMACEUTICAL COMPANY (CN) 2011-08-18 US disclosed
US-5591757-A ADRENERGIC BETA-RECEPTOR BLOCKING AGENTS AND CALCIUM ANTAGONIST YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-01-07 US disclosed
US-5110820-A Hypotensive agents; cardiovascular disorders YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-05-05 US disclosed
EP-0151006-B1 DIHYDROPYRIDINE COMPOUNDS, THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PRODUCING THESE COMPOSITIONS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-08-28 EP disclosed
US-4894460-A 1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID ESTERS PIERREL S.P.A. (IT) 1990-01-16 US disclosed
US-4772621-A Antihypertensive diphenylpropyl aminopropyl ester of 1,4-dihydro-2,6-dimethyl-pyridine-3,5-dicarboxylic acid RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1988-09-20 US disclosed
US-4705797-A HYPOTENSIVE AGENTS, VASODILATORS RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1987-11-10 US disclosed
EP-0153016-A2 Asymmetrical diesters of 1,4-dihydro-2,6-dimethyl-pyridine-3,5-dicarboxylic acid RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1985-08-28 EP disclosed
EP-0151006-A2 Dihydropyridine compounds, their production, pharmaceutical compositions containing them, and methods of producing these compositions YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1985-08-07 EP disclosed
EP-0097821-A2 Dihydropyridines with an antagonistic activity to calcium, process for their preparation, and pharmaceutical compositions containing them Pierrel S.p.A. (IT) 1984-01-11 EP disclosed
US-3985758-A 1,4-Dihydropyridine derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-10-12 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-20110201811-A1 DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS, AND MEDICAL USES THEREOF RYR1, CACNA1E, CACNA1C CACNA1F 8/4885CACNA1D 9/4885CACNA1S 5/4885

“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.