SCHEMBL489551

SCHEMBL489551

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
CACNA1F O60840 5/20 0.48
CACNA1D Q01668 5/20 0.48
CACNA1S Q13698 5/20 0.48
CACNA1C Q13936 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MTOR P42345 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 4/20 0.45
MAPT P10636 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
HSD17B10 Q99714 2/20 0.44
CASP1 P29466 1/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
PPARA Q07869 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
SCHEMBL489360 0.95 ALDH1A1 (0.50) ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6689694 0.94 ALDH1A1 (0.51) ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL489865 0.92 MTOR (0.50) ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5408190 0.91 PPARA (0.49) ALDH1A1SMN1; SMN2KDM4EMAPTPPARA
SCHEMBL489543 0.91 PPARA (0.51) ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL489753 0.86 ADORA3 (0.47) ALDH1A1MTORKDM4EMAPTADORA3
SCHEMBL489544 0.86 MTOR (0.46) ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL489303 0.85 CACNA1C (0.47) ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL489368 0.83 LMNA (0.43) ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL489592 0.83 PPARA (0.52) ALDH1A1MTORKDM4EMAPTADORA3

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 10 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 claimed
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
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
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 ALDH1A1 3124/4885CACNA1F 10/4885CACNA1D 5/4885
US-20050159455-A1 1,4-dihydropyridine and pyridine compounds as calcium channel blockers RYR1, RYR2, ORAI1 ALDH1A1 2429/4885CACNA1F 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.