SCHEMBL1242816

SCHEMBL1242816

OC(c1cccnc1)(c1cccnc1)C(c1cccc(F)c1)N1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 14/20 0.73
KCNH2 Q12809 9/20 0.73
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL1242863 0.88 KCNA5 (0.81) KCNA5KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1241966 0.87 KCNA5 (0.71) KCNA5KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1241166 0.86 KCNA5 (0.81) KCNA5KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1242073 0.85 KCNA5 (0.73) KCNA5KCNH2KDM4E
SCHEMBL1243278 0.85 KCNA5 (0.73) KCNA5KCNH2
SCHEMBL1242186 0.85 KCNA5 (0.73) KCNA5KCNH2
SCHEMBL1242084 0.84 KCNA5 (1.00) KCNA5KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1242803 0.84 KCNA5 (0.67) KCNA5KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1242822 0.83 KCNA5 (0.70) KCNA5KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1242091 0.83 KCNA5 (0.62) KCNA5KCNH2CYP3A4CYP2D6CYP2C9

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 3/4885CYP3A4 1526/4885

“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.