SCHEMBL1243293

SCHEMBL1243293

N#Cc1cccc(C(O)(c2cccnc2)C(c2ccccn2)N2CCCOC2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.44
KCNH2 Q12809 8/20 0.44
MGLL Q99685 1/20 0.35
CYP3A4 P08684 2/20 0.32
CYP3A5 P20815 2/20 0.32
GRM4 Q14833 1/20 0.32
VNN1 O95497 1/20 0.32

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
SCHEMBL1242232 0.89 KCNA5 (0.50) KCNA5KCNH2
SCHEMBL12890151 0.85 KCNA5 (0.42) KCNA5KCNH2
SCHEMBL1240403 0.84 KCNA5 (0.50) KCNA5KCNH2
SCHEMBL1242114 0.81 KCNA5 (0.48) KCNA5KCNH2MGLLCYP3A4CYP3A5
SCHEMBL1240547 0.79 KCNA5 (0.39) KCNA5KCNH2MGLLCYP3A4CYP3A5
SCHEMBL1240509 0.78 KCNA5 (0.62) KCNA5KCNH2CYP3A4
SCHEMBL9945325 0.76 KCNA5 (0.40) KCNA5KCNH2MGLLCYP3A4CYP3A5
SCHEMBL9945335 0.76 KCNA5 (0.40) KCNA5KCNH2MGLLCYP3A4CYP3A5
SCHEMBL1242032 0.76 KCNA5 (0.40) KCNA5KCNH2MGLLCYP3A4CYP3A5
SCHEMBL1243070 0.72 MGLL (0.40) KCNA5KCNH2MGLLCYP3A4VNN1

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 12 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
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-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

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 11/4885KCNH2 3/4885MGLL 1647/4885

“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.