SCHEMBL489592

SCHEMBL489592

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.52
ALOX5 P09917 1/20 0.48
PTGS2 P35354 1/20 0.48
ADORA3 P0DMS8 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CYP2C9 P11712 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
KMT2A Q03164 2/20 0.43
HIF1A Q16665 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NR1I2 O75469 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.43
CYP2D6 P10635 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
SCHEMBL489543 0.92 PPARA (0.51) PPARAALOX5PTGS2ADORA3CYP2C9
SCHEMBL489753 0.92 ADORA3 (0.47) PPARAADORA3CYP2C9KDM4EMEN1
SCHEMBL17999044 0.90 PPARA (0.59) PPARAALOX5PTGS2KDM4EHSD17B10
SCHEMBL489534 0.89 NR1I2 (0.47) PPARAADORA3CYP2C9KDM4EMEN1
SCHEMBL489973 0.87 HTR1A (0.52) PPARAALOX5PTGS2ADORA3HDAC1
SCHEMBL489865 0.84 MTOR (0.50) PPARAADORA3KDM4EHSD17B10ALDH1A1
SCHEMBL489464 0.84 ALDH1A1 (0.50) PPARAKDM4EMEN1KMT2AHSD17B10
SCHEMBL6689694 0.83 ALDH1A1 (0.51) PPARAKDM4EALDH1A1TSHRLMNA
SCHEMBL489551 0.83 ALDH1A1 (0.51) PPARAADORA3KDM4EHSD17B10ALDH1A1
SCHEMBL489360 0.82 ALDH1A1 (0.50) ADORA3KDM4EHSD17B10ALDH1A1LMNA

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
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-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
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 (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 PPARA 1356/4885ALOX5 271/4885PTGS2 272/4885
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 PPARA 1286/4885ALOX5 351/4885PTGS2 252/4885
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 PPARA 3043/4885ALOX5 1780/4885PTGS2 509/4885
US-20050159455-A1 1,4-dihydropyridine and pyridine compounds as calcium channel blockers RYR1, RYR2, ORAI1 PPARA 3351/4885ALOX5 2561/4885PTGS2 640/4885

“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.