SCHEMBL489534

SCHEMBL489534

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 3/20 0.47
PPARA Q07869 1/20 0.43
CYP2C9 P11712 5/20 0.43
CYP1A2 P05177 4/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2C19 P33261 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ADORA3 P0DMS8 3/20 0.43
ABCB11 O95342 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HIF1A Q16665 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP2D6 P10635 2/20 0.43
NR3C1 P04150 2/20 0.43
TBXA2R P21731 2/20 0.43
OPRK1 P41145 2/20 0.43
SLC6A3 Q01959 2/20 0.43
PDE4D Q08499 2/20 0.43
SCN5A Q14524 2/20 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
SCHEMBL489544 0.92 MTOR (0.46) NR1I2CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL489261 0.92 KDM4E (0.42) NR1I2PPARACYP2C9CYP1A2CYP3A4
SCHEMBL17999006 0.90 PPARA (0.47) PPARAKDM4EHSD17B10MAPTALOX15
SCHEMBL489592 0.89 PPARA (0.52) NR1I2PPARACYP2C9CYP1A2CYP3A4
SCHEMBL489753 0.89 ADORA3 (0.47) NR1I2PPARACYP2C9CYP1A2CYP3A4
SCHEMBL489902 0.88 TBXA2R (0.51) NR1I2PPARACYP2C9CYP1A2CYP3A4
SCHEMBL489737 0.84 CACNA1C (0.43) NR1I2PPARACYP2C9CYP1A2CYP3A4
SCHEMBL6061966 0.83 CYP2C9 (0.39) NR1I2PPARACYP2C9CYP1A2CYP3A4
SCHEMBL489187 0.83 CACNA1F (0.39) NR1I2PPARACYP2C9CYP3A4CYP2C19
SCHEMBL13436317 0.82 CACNA1F (0.44) PPARACACNA1CCACNA1FCACNA1DCACNA1S

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 20 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-1542683-B1 CALCIUM CHANNEL BLOCKERS DIAKRON PHARMACEUTICALS INC (US) 2013-01-09 EP claimed
US-8106062-B1 Calcium channel blockers DIAKRON PHARMACEUTICALS, INC. (US) 2012-01-31 US claimed
US-20090118334-A1 METHOD OF TREATMENT OF CARDIAC AND/OR RENAL FAILURE USING A CALCIUM CHANNEL BLOCKER AND AN ANGIOTENSIN CONVERTING ENZYME INHIBITOR OR AN ANGIOTENSIN II RECEPTOR BLOCKER DIAKRON PHARMACEUTICALS, INC. (US) 2009-05-07 US claimed
US-20060058355-A1 Method of treatment of cardiac and/or renal failure using a calcium channel blocker and an angiotensin converting enzyme inhibitor or an angiotensin II receptor blocker DITTRICH HOWARD C 2006-03-16 US claimed
US-6852742-B2 1,4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2005-02-08 US claimed
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 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-20090118334-A1 METHOD OF TREATMENT OF CARDIAC AND/OR RENAL FAILURE USING A CALCIUM CHANNEL BLOCKER AND AN ANGIOTENSIN CONVERTING ENZYME INHIBITOR OR AN ANGIOTENSIN II RECEPTOR BLOCKER DIAKRON PHARMACEUTICALS, INC. (US) 2009-05-07 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-20060058355-A1 Method of treatment of cardiac and/or renal failure using a calcium channel blocker and an angiotensin converting enzyme inhibitor or an angiotensin II receptor blocker DITTRICH HOWARD C 2006-03-16 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 (4 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-20060058355-A1 Method of treatment of cardiac and/or renal failure using a calcium channel blocker and an angiotensin converting enzyme inhibitor or an angiotensin II receptor blocker ACE, AGTR2, REN NR1I2 748/4885PPARA 1356/4885CYP2C9 868/4885
US-20090118334-A1 METHOD OF TREATMENT OF CARDIAC AND/OR RENAL FAILURE USING A CALCIUM CHANNEL BLOCKER AND AN ANGIOTENSIN CONVERTING ENZYME INHIBITOR OR AN ANGIOTENSIN II RECEPTOR BLOCKER AGTR2, ACE, AGTR1 NR1I2 641/4885PPARA 1286/4885CYP2C9 899/4885
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 NR1I2 3448/4885PPARA 3043/4885CYP2C9 4051/4885
US-20050159455-A1 1,4-dihydropyridine and pyridine compounds as calcium channel blockers RYR1, RYR2, ORAI1 NR1I2 3721/4885PPARA 3351/4885CYP2C9 3815/4885

“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.