SCHEMBL1242998

SCHEMBL1242998

CN(C)S(=O)(=O)C1CN(C(c2ccc(F)cc2)C(O)(c2cccnc2)c2cccnc2)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 14/20 0.49
KCNH2 Q12809 9/20 0.49
NPSR1 Q6W5P4 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
KCND3 Q9UK17 1/20 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
SCHEMBL1240800 0.89 KCNA5 (0.52) KCNA5KCNH2NPSR1CYP3A4CYP2D6
SCHEMBL1242382 0.87 KCNA5 (0.52) KCNA5KCNH2NPSR1CYP3A4CYP2D6
SCHEMBL1242302 0.84 KCNA5 (0.54) KCNA5KCNH2NPSR1CYP3A4CYP2D6
SCHEMBL1242934 0.82 KCNA5 (0.61) KCNA5KCNH2
SCHEMBL1240939 0.82 KCNA5 (0.49) KCNA5KCNH2NPSR1CYP3A4CYP2D6
SCHEMBL1242334 0.82 KCNA5 (0.49) KCNA5KCNH2NPSR1CYP3A4CYP2D6
SCHEMBL1242756 0.82 KCNA5 (0.58) KCNA5KCNH2NPSR1CYP3A4CYP2D6
SCHEMBL9903352 0.81 KCNA5 (0.44) KCNA5KCNH2NPSR1CYP3A4CYP2D6
SCHEMBL1243184 0.81 KCNA5 (0.57) KCNA5KCNH2NPSR1CYP3A4CYP2D6
SCHEMBL1242857 0.80 KCNA5 (0.54) KCNA5KCNH2NPSR1CYP3A4CYP2D6

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 3 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 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 11/4885KCNH2 3/4885NPSR1 2052/4885

“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.