SCHEMBL489547

SCHEMBL489547

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 4/20 0.44
HTR1A P08908 2/20 0.44
ADRA2A P08913 2/20 0.44
CHRM1 P11229 2/20 0.44
DRD1 P21728 2/20 0.44
TBXA2R P21731 2/20 0.44
SLC6A2 P23975 2/20 0.44
ADRA1A P35348 2/20 0.44
OPRM1 P35372 2/20 0.44
DRD3 P35462 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KCNH2 Q12809 2/20 0.44
KCNK2 O95069 1/20 0.44
ABCB11 O95342 1/20 0.44
ADRB2 P07550 1/20 0.44
ABCB1 P08183 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADRB3 P13945 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2C P18825 1/20 0.44

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
SCHEMBL489785 0.93 CACNA1C (0.44) CACNA1CHTR1AADRA2ACHRM1DRD1
SCHEMBL489902 0.93 TBXA2R (0.51) CACNA1CHTR1AADRA2ACHRM1DRD1
SCHEMBL489815 0.93 HTR1A (0.51) CACNA1CHTR1AADRA2ACHRM1DRD1
SCHEMBL489559 0.93 CACNA1C (0.44) CACNA1CHTR1AADRA2ACHRM1DRD1
SCHEMBL17999035 0.90 HTR1A (0.39) CACNA1CHTR1AADRA2ACHRM1DRD1
SCHEMBL489261 0.88 KDM4E (0.42) CACNA1CTBXA2RSLC6A3KCNH2ABCB11
SCHEMBL489514 0.85 CACNA1C (0.52) CACNA1CHTR1AADRA2ACHRM1DRD1
SCHEMBL489973 0.85 HTR1A (0.52) CACNA1CHTR1AADRA2ACHRM1DRD1
SCHEMBL489564 0.84 TBXA2R (0.54) CACNA1CHTR1AADRA2ACHRM1DRD1
SCHEMBL489555 0.84 HTR1A (0.54) CACNA1CHTR1AADRA2ACHRM1DRD1

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 CACNA1C 35/4885HTR1A 1621/4885ADRA2A 23/4885
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 CACNA1C 44/4885HTR1A 1754/4885ADRA2A 24/4885
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 CACNA1C 4/4885HTR1A 864/4885ADRA2A 1468/4885
US-20050159455-A1 1,4-dihydropyridine and pyridine compounds as calcium channel blockers RYR1, RYR2, ORAI1 CACNA1C 5/4885HTR1A 1164/4885ADRA2A 1516/4885

“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.