SCHEMBL1242211

SCHEMBL1242211

O=c1ccccn1C(c1cccc(Cl)n1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.33
CYP19A1 P11511 2/20 0.33
CFTR P13569 2/20 0.33
GOPC Q9HD26 2/20 0.33
KCND3 Q9UK17 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KCNN4 O15554 2/20 0.32
CYP11B1 P15538 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1243310 0.83 KCNA5 (0.40) KCNA5CFTRGOPCKCND3SLC6A2
SCHEMBL1243091 0.83 KCNA5 (0.40) KCNA5CFTRGOPCKCND3SLC6A2
SCHEMBL1241967 0.83 KCNA5 (0.40) KCNA5CFTRGOPCKCND3SLC6A2
SCHEMBL1242156 0.82 CFTR (0.42) KCNA5CYP19A1CFTRGOPCSLC6A2
SCHEMBL1242470 0.81 KCNE1 (0.38) KCNA5KCND3KCNE1KCNQ1SMN1; SMN2
SCHEMBL1241452 0.79 KCNE1 (0.37) KCNA5KCND3KCNE1KCNQ1SMN1; SMN2
SCHEMBL1242437 0.76 KCNA5 (0.42) KCNA5CYP19A1CFTRGOPCKCND3
SCHEMBL1242623 0.75 KCNA5 (0.44) KCNA5CYP19A1CFTRGOPCKCND3
SCHEMBL9903015 0.74 CYP19A1 (0.41) KCNA5CYP19A1CYP11B1
SCHEMBL3899482 0.69 KCNA5 (0.39) KCNA5CYP19A1CFTRGOPCKCND3

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP claimed
JP-4719745-B2 2011-07-06 JP claimed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US claimed
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP claimed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US claimed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP claimed
WO-2006015159-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO claimed
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP disclosed
WO-2006015159-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 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 (1 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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 KCNA5 11/4885CYP19A1 4632/4885CFTR 256/4885

“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.