SCHEMBL489303

SCHEMBL489303

CCCCCCCCCCCCCCCc1cccc(OCC)c1C1C(C(=O)OCC)=C(C)NC(C)=C1C(=O)OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 5/20 0.47
CACNA1F O60840 4/20 0.47
CACNA1D Q01668 4/20 0.47
CACNA1S Q13698 4/20 0.47
MTOR P42345 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
MAPT P10636 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
KDM4E B2RXH2 3/20 0.42

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
SCHEMBL489737 0.97 CACNA1C (0.43) CACNA1CCACNA1FCACNA1DCACNA1SLMNA
SCHEMBL489865 0.93 MTOR (0.50) CACNA1CCACNA1FCACNA1DCACNA1SMTOR
SCHEMBL489544 0.89 MTOR (0.46) CACNA1CCACNA1FCACNA1DCACNA1SMTOR
SCHEMBL489261 0.89 KDM4E (0.42) CACNA1CCACNA1FCACNA1DCACNA1SLMNA
SCHEMBL489360 0.88 ALDH1A1 (0.50) CACNA1CCACNA1FCACNA1DCACNA1SMTOR
SCHEMBL6689694 0.87 ALDH1A1 (0.51) CACNA1CCACNA1FCACNA1DCACNA1SMTOR
SCHEMBL489543 0.86 PPARA (0.51) CACNA1CCACNA1FCACNA1DCACNA1SMTOR
SCHEMBL489753 0.86 ADORA3 (0.47) MTORLMNACYP1A2CYP3A4CYP2C9
SCHEMBL489785 0.85 CACNA1C (0.44) CACNA1CCACNA1FCACNA1DCACNA1SLMNA
SCHEMBL489551 0.85 ALDH1A1 (0.51) CACNA1CCACNA1FCACNA1DCACNA1SMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470108-B1 1,4-DIHYDROPYRIDINE AND PYRIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENT RES FOUNDATION (IN) 2016-08-24 EP disclosed
EP-1542683-B1 CALCIUM CHANNEL BLOCKERS DIAKRON PHARMACEUTICALS INC (US) 2013-01-09 EP disclosed
US-8106062-B1 Calcium channel blockers DIAKRON PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-7235570-B2 1,4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENTIFIC RESEARCH (IN) 2007-06-26 US disclosed
US-7235570-B2 1,4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENTIFIC RESEARCH (IN) 2007-06-26 US disclosed
US-20050159455-A1 1,4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENTIFIC RESEARCH (IN) 2005-07-21 US disclosed
EP-1542683-A2 CALCIUM CHANNEL BLOCKERS Diakron Pharmaceuticals, Inc. (US) 2005-06-22 EP disclosed
US-6852742-B2 1,4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2005-02-08 US disclosed
US-6852742-B2 1,4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2005-02-08 US disclosed
WO-2004024153-A2 CALCIUM CHANNEL BLOCKERS DIAKRON PHARMACEUTICALS, INC. (US) 2004-03-25 WO disclosed
US-20040006110-A1 To modulate the activity of calcium channels, therapy of cardiovascular disease or neurological disorders, that are associated with calcium channels Knobbe, Martens, Olson & Bear, LLP 2004-01-08 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 (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-20040006110-A1 To modulate the activity of calcium channels, therapy of cardiovascular disease or neurological disorders, that are associated with calcium channels RYR2, ORAI1, RYR1 CACNA1C 4/4885CACNA1F 10/4885CACNA1D 5/4885
US-20050159455-A1 1,4-dihydropyridine and pyridine compounds as calcium channel blockers RYR1, RYR2, ORAI1 CACNA1C 5/4885CACNA1F 17/4885CACNA1D 4/4885

“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.