SCHEMBL1240545

SCHEMBL1240545

COc1cc(F)ccc1C(N1CCCC1)C(O)(c1cccnc1)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 13/20 0.57
KCNH2 Q12809 10/20 0.57
CYP3A4 P08684 1/20 0.44
CYP19A1 P11511 2/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL1242141 0.89 KCNA5 (0.67) KCNA5KCNH2CYP3A4CYP19A1ALDH1A1
SCHEMBL1242855 0.86 KCNA5 (0.58) KCNA5KCNH2CYP3A4SMN1; SMN2KDM4E
SCHEMBL1242153 0.86 KCNA5 (0.60) KCNA5KCNH2CYP3A4ALDH1A1
SCHEMBL1242091 0.86 KCNA5 (0.62) KCNA5KCNH2CYP3A4
SCHEMBL1243647 0.80 KCNA5 (0.63) KCNA5KCNH2KDM4E
SCHEMBL1242854 0.80 KCNA5 (0.63) KCNA5KCNH2KDM4E
SCHEMBL1242816 0.79 KCNA5 (0.73) KCNA5KCNH2CYP3A4SMN1; SMN2KDM4E
SCHEMBL1242863 0.79 KCNA5 (0.81) KCNA5KCNH2CYP3A4CYP19A1KDM4E
SCHEMBL1241166 0.78 KCNA5 (0.81) KCNA5KCNH2CYP3A4
SCHEMBL1243250 0.78 KCNA5 (0.70) KCNA5KCNH2CYP3A4KDM4E

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.