SCHEMBL1242824

SCHEMBL1242824

Fc1ccc(C(NCCC(F)(F)F)C(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
KCNA5 P22460 2/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
KCND3 Q9UK17 1/20 0.40
EPHX2 P34913 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
KCNH2 Q12809 2/20 0.35
GPR55 Q9Y2T6 3/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP19A1 P11511 1/20 0.34
TSHR P16473 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
SCHEMBL1243417 0.87 POLB (0.44) POLBKCNA5KCNE1KCNQ1KCND3
SCHEMBL1242443 0.82 KCNA5 (0.43) KCNA5KCND3KCNH2LMNACYP19A1
SCHEMBL1240498 0.82 SIGMAR1 (0.43) POLBKCNA5KCNE1KCNQ1KCND3
SCHEMBL1242602 0.81 KCNA5 (0.43) POLBKCNA5KCND3HTTNPSR1
SCHEMBL1240067 0.75 CYP19A1 (0.53) KCNA5L3MBTL1KCNH2CYP19A1
SCHEMBL1242442 0.74 KCNA5 (0.45) POLBKCNA5KCNE1KCNQ1KCND3
SCHEMBL1378412 0.74 KCNA5 (0.56) POLBKCNA5KCNE1KCNQ1KCND3
SCHEMBL3888426 0.74 KCNA5 (0.56) POLBKCNA5KCNE1KCNQ1KCND3
SCHEMBL1242412 0.72 SLC6A2 (0.40) POLBKCNA5KCNE1KCNQ1KCND3
SCHEMBL1243296 0.72 CYP19A1 (0.56) KCNA5KCNH2CYP19A1

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 7 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
JP-4719745-B2 2011-07-06 JP 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
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 POLB 4819/4885KCNA5 11/4885KCNE1 23/4885

“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.