SCHEMBL1242782

SCHEMBL1242782

FC(F)(F)CNC(c1cccc(Cl)c1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.45
HTRA1 Q92743 1/20 0.39
KCND3 Q9UK17 1/20 0.39
CYP19A1 P11511 3/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
CYP11B1 P15538 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
POLB P06746 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1243327 0.91 KCNA5 (0.44) KCNA5HTRA1KCND3CYP19A1SLC6A2
SCHEMBL1242602 0.88 KCNA5 (0.43) KCNA5KCND3CYP19A1OPRM1OPRD1
SCHEMBL1242131 0.86 CYP3A4 (0.43) KCNA5KCND3CYP19A1SLC6A2SLC6A4
SCHEMBL1243089 0.83 SYK (0.35) KCNA5SLC6A2SLC6A4L3MBTL1SMN1; SMN2
SCHEMBL1243417 0.81 POLB (0.44) KCNA5KCND3CYP19A1SLC6A2SLC6A4
SCHEMBL1243230 0.80 KCNA5 (0.39) KCNA5KCND3L3MBTL1ALDH1A1
SCHEMBL1242443 0.79 KCNA5 (0.43) KCNA5KCND3CYP19A1OPRM1OPRD1
SCHEMBL1240067 0.77 CYP19A1 (0.53) KCNA5CYP19A1CYP11B1L3MBTL1
SCHEMBL1242412 0.77 SLC6A2 (0.40) KCNA5KCND3SLC6A2SLC6A4POLB
SCHEMBL1242477 0.76 CYP19A1 (0.49) KCNA5HTRA1CYP19A1OPRM1OPRD1

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 9 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 claimed
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 claimed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US claimed
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
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP disclosed
WO-2006015159-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO 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 11/4885HTRA1 3766/4885KCND3 37/4885

“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.