SCHEMBL1242891

SCHEMBL1242891

OC1CCN(C(c2ccccc2)C(O)(c2cccnc2)c2cccnc2)C1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 15/20 0.69
KCNH2 Q12809 10/20 0.69
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL1242769 0.93 KCNA5 (0.73) KCNA5KCNH2
SCHEMBL1242052 0.91 KCNA5 (0.57) KCNA5KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1243224 0.88 KCNA5 (0.69) KCNA5KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1242850 0.87 KCNA5 (0.52) KCNA5KCNH2CYP3A4NPSR1
SCHEMBL1242195 0.82 KCNA5 (0.47) KCNA5KCNH2
SCHEMBL1242084 0.82 KCNA5 (1.00) KCNA5KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1243446 0.82 KCNA5 (1.00) KCNA5KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1242118 0.81 KCNA5 (0.70) KCNA5KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1243383 0.81 KCNA5 (0.70) KCNA5KCNH2
SCHEMBL1243260 0.81 KCNA5 (1.00) 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.