SCHEMBL489196

SCHEMBL489196

CCCCCCCCCC(CCC(C(C)OCC)N(C(C)=O)c1ccccc1)c1ccccc1C=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.37
CYSLTR1 Q9Y271 3/20 0.37
ALDH1A1 P00352 2/20 0.33
PRSS1 P07477 2/20 0.33
CTSG P08311 2/20 0.33
CTRB1 P17538 2/20 0.33
CMA1 P23946 2/20 0.33
NPC1 O15118 1/20 0.33
JAK2 O60674 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PPARG P37231 2/20 0.31

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
SCHEMBL489432 0.76 ALDH1A1 (0.39) CYSLTR2CYSLTR1ALDH1A1PRSS1LMNA
SCHEMBL6882280 0.74 CYSLTR2 (0.43) CYSLTR2CYSLTR1ALDH1A1PPARG
SCHEMBL1332960 0.73 CYSLTR2 (0.45) CYSLTR2CYSLTR1ALDH1A1PRSS1LMNA
SCHEMBL490156 0.70 ALDH1A1 (0.40) CYSLTR2CYSLTR1ALDH1A1PRSS1PPARG
SCHEMBL9017707 0.70 CYSLTR2 (0.39) CYSLTR2CYSLTR1ALDH1A1LMNA
SCHEMBL489761 0.69 ALDH1A1 (0.39) CYSLTR2CYSLTR1ALDH1A1PRSS1PPARG
SCHEMBL489247 0.68 ALDH1A1 (0.36) CYSLTR2CYSLTR1ALDH1A1PPARG
SCHEMBL9857565 0.68 CYSLTR2 (0.40) CYSLTR2CYSLTR1PRSS1LMNAPPARG
SCHEMBL1880780 0.68 CYSLTR2 (0.40) CYSLTR2CYSLTR1ALDH1A1LMNASMN1; SMN2
SCHEMBL6683043 0.67 ADH1B (0.39) CYSLTR2CYSLTR1ALDH1A1PRSS1LMNA

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-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
EP-1470108-A1 1,4-DIHYDROPYRIDINE AND PYRIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2004-10-27 EP 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
WO-2003062201-A1 1,4-DIHYDROPYRIDINE AND PYRIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2003-07-31 WO 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 CYSLTR2 686/4885CYSLTR1 612/4885ALDH1A1 3124/4885
US-20050159455-A1 1,4-dihydropyridine and pyridine compounds as calcium channel blockers RYR1, RYR2, ORAI1 CYSLTR2 1156/4885CYSLTR1 819/4885ALDH1A1 2429/4885

“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.