SCHEMBL1243080

SCHEMBL1243080

CN(C1CCN(C(c2cccc(C#N)c2)C(c2cccnc2)c2cccnc2)CC1)S(=O)(=O)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.41
KCNA5 P22460 4/20 0.40
MCOLN3 Q8TDD5 1/20 0.39
MGLL Q99685 1/20 0.39
UCHL1 P09936 1/20 0.37
USP30 Q70CQ3 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
VNN1 O95497 1/20 0.35
CCR5 P51681 1/20 0.35
KCNH2 Q12809 2/20 0.35

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) CYP3A4KCNA5MCOLN3MGLLUCHL1
SCHEMBL1243062 0.89 KCNA5 (0.42) CYP3A4KCNA5MCOLN3MGLLUCHL1
SCHEMBL1242190 0.89 KCNA5 (0.41) CYP3A4KCNA5MGLLUCHL1USP30
SCHEMBL1243596 0.85 KCNA5 (0.41) CYP3A4KCNA5MCOLN3MGLLUCHL1
SCHEMBL1240757 0.83 KCNA5 (0.42) CYP3A4KCNA5MGLLVNN1CCR5
SCHEMBL1382310 0.83 CYP3A4 (0.39) CYP3A4KCNA5MCOLN3MGLLUCHL1
SCHEMBL9901432 0.79 MGLL (0.46) KCNA5MGLL
SCHEMBL1243334 0.77 KCNA5 (0.45) CYP3A4KCNA5MGLLKCNH2
SCHEMBL1242039 0.77 KCNA5 (0.45) CYP3A4KCNA5MGLLKCNH2
SCHEMBL1242037 0.77 KCNA5 (0.45) CYP3A4KCNA5MGLLKCNH2

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 CYP3A4 1526/4885KCNA5 11/4885MCOLN3 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.