SCHEMBL1242850

SCHEMBL1242850

O[C@@H]1CCN(C(c2cccc(Cl)c2)C(O)(c2cccnc2)c2cccnc2)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.52
KCNH2 Q12809 9/20 0.52
CYP19A1 P11511 2/20 0.46
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
RORC P51449 1/20 0.38
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP3A5 P20815 1/20 0.37
POLB P06746 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
SCHEMBL1242891 0.87 KCNA5 (0.69) KCNA5KCNH2NPSR1CYP3A4
SCHEMBL1243278 0.84 KCNA5 (0.73) KCNA5KCNH2CYP19A1PKMPOLB
SCHEMBL1242195 0.83 KCNA5 (0.47) KCNA5KCNH2
SCHEMBL1242052 0.83 KCNA5 (0.57) KCNA5KCNH2CYP19A1MAPK1NPSR1
SCHEMBL1242769 0.80 KCNA5 (0.73) KCNA5KCNH2
SCHEMBL1242042 0.80 KCNA5 (0.54) KCNA5KCNH2NPSR1CYP3A4CYP3A5
SCHEMBL9903755 0.79 KCNA5 (0.52) KCNA5KCNH2CYP19A1RORCCYP3A4
SCHEMBL1242405 0.78 KCNA5 (0.54) KCNA5KCNH2CYP3A4
SCHEMBL1240448 0.77 KCNA5 (0.47) KCNA5KCNH2CYP19A1SLC6A2SLC6A4
SCHEMBL1243224 0.75 KCNA5 (0.69) KCNA5KCNH2NPSR1CYP3A4

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 3/4885CYP19A1 4632/4885

“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.