SCHEMBL1242767

SCHEMBL1242767

CC(C)(C)C(O)(c1ccccn1)C(c1ccccc1)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.54
KCNH2 Q12809 4/20 0.48
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.45
IDH1 O75874 2/20 0.45
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.38
POLB P06746 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
SCHEMBL1240383 0.81 KCNA5 (0.75) KCNA5KCNH2CYP3A4CYP2C19CYP2D6
SCHEMBL12508295 0.77 KCNA5 (0.71) KCNA5KCNH2CYP3A4CYP2C19CYP2D6
SCHEMBL1242846 0.76 KCNA5 (0.83) KCNA5KCNH2CYP3A4CYP2C19CYP2D6
SCHEMBL1242061 0.76 KCNA5 (0.51) KCNA5KCNH2CYP3A4CYP2C19CYP2D6
SCHEMBL12587929 0.71 KCNA5 (1.00) KCNA5KCNH2CYP3A4CYP2C19CYP2D6
SCHEMBL12587920 0.71 KCNA5 (1.00) KCNA5KCNH2CYP3A4CYP2C19CYP2D6
SCHEMBL9902500 0.71 KCNA5 (0.74) KCNA5KCNH2CYP3A4CYP2C19CYP2D6
SCHEMBL1243308 0.70 KCNA5 (0.48) KCNA5KCNH2CYP3A4CYP2C19CYP2D6
SCHEMBL1243557 0.69 KCNA5 (0.64) KCNA5KCNH2CYP3A4CYP2C19CYP2D6
SCHEMBL24700213 0.69 MEN1 (0.45) KCNA5KCNH2CYP3A4CYP2C19MEN1

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 8 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
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-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-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
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 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.