SCHEMBL1243062

SCHEMBL1243062

CCS(=O)(=O)N(C)C1CCN(C(c2cccc(C#N)c2)C(c2cccnc2)c2cccnc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.42
CYP3A4 P08684 3/20 0.41
MCOLN3 Q8TDD5 1/20 0.39
MGLL Q99685 1/20 0.39
CCR5 P51681 2/20 0.38
UCHL1 P09936 1/20 0.37
USP30 Q70CQ3 1/20 0.37
KCNH2 Q12809 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
APLNR P35414 2/20 0.36

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
SCHEMBL1243595 0.91 CYP3A4 (0.44) KCNA5CYP3A4MCOLN3MGLLCCR5
SCHEMBL1243080 0.89 CYP3A4 (0.41) KCNA5CYP3A4MCOLN3MGLLCCR5
SCHEMBL1240757 0.87 KCNA5 (0.42) KCNA5CYP3A4MGLLCCR5KCNH2
SCHEMBL1243596 0.85 KCNA5 (0.41) KCNA5CYP3A4MCOLN3MGLLCCR5
SCHEMBL1242190 0.85 KCNA5 (0.41) KCNA5CYP3A4MGLLCCR5UCHL1
SCHEMBL1382310 0.83 CYP3A4 (0.39) KCNA5CYP3A4MCOLN3MGLLCCR5
SCHEMBL9901432 0.79 MGLL (0.46) KCNA5MGLL
SCHEMBL1242330 0.77 MGLL (0.46) KCNA5MGLLKCNH2
SCHEMBL1242037 0.75 KCNA5 (0.45) KCNA5CYP3A4MGLLKCNH2
SCHEMBL1243334 0.75 KCNA5 (0.45) KCNA5CYP3A4MGLLKCNH2

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 10 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-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 11/4885CYP3A4 1526/4885MCOLN3 616/4885

“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.