SCHEMBL1243082

SCHEMBL1243082

OC(c1cccnc1)(c1cccnc1)C(c1ccc(OC(F)(F)F)cc1)N1CCCC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.72
KCNH2 Q12809 8/20 0.72
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP3A5 P20815 2/20 0.39
CYP11B1 P15538 2/20 0.39
CCR6 P51684 1/20 0.38
CYP11B2 P19099 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
SCHEMBL1243523 0.89 KCNA5 (0.65) KCNA5KCNH2CYP11B1CYP11B2
SCHEMBL1242271 0.88 KCNA5 (0.54) KCNA5KCNH2NPC1RAB9ACYP3A4
SCHEMBL1240066 0.86 KCNA5 (0.75) KCNA5KCNH2CYP3A4
SCHEMBL1242863 0.84 KCNA5 (0.81) KCNA5KCNH2CYP3A4
SCHEMBL1242084 0.84 KCNA5 (1.00) KCNA5KCNH2CYP3A4
SCHEMBL1241166 0.83 KCNA5 (0.81) KCNA5KCNH2CYP3A4
SCHEMBL1242267 0.83 KCNA5 (0.87) KCNA5KCNH2CYP3A4
SCHEMBL1243260 0.83 KCNA5 (1.00) KCNA5KCNH2CYP3A4
SCHEMBL1242138 0.82 KCNA5 (0.81) KCNA5KCNH2CYP3A4CYP3A5
SCHEMBL1243040 0.82 KCNA5 (0.81) KCNA5KCNH2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3/4885NPC1 660/4885

“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.