SCHEMBL1242035

SCHEMBL1242035

OC(c1cccnc1)(c1cccnc1)C(NC1CCC1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.43
KCNH2 Q12809 6/20 0.43
C3AR1 Q16581 1/20 0.39
POLB P06746 1/20 0.38
CYP19A1 P11511 3/20 0.38
EPHX2 P34913 1/20 0.36
NR3C1 P04150 1/20 0.35

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
SCHEMBL1241791 0.89 KCNA5 (0.55) KCNA5KCNH2
SCHEMBL1242476 0.86 KCNA5 (0.55) KCNA5KCNH2
SCHEMBL1240567 0.85 KCNA5 (0.56) KCNA5KCNH2C3AR1POLB
SCHEMBL1240410 0.80 CYP19A1 (0.49) KCNA5KCNH2C3AR1CYP19A1
SCHEMBL4580891 0.78 POLB (0.48) KCNA5KCNH2POLBCYP19A1EPHX2
SCHEMBL1243394 0.77 KCNA5 (0.43) KCNA5KCNH2POLBCYP19A1EPHX2
SCHEMBL3889259 0.74 CHRNB4 (0.46) KCNA5KCNH2
SCHEMBL1243055 0.73 KCNA5 (0.75) KCNA5KCNH2POLBCYP19A1
SCHEMBL1242863 0.72 KCNA5 (0.81) KCNA5KCNH2POLBCYP19A1
SCHEMBL1243259 0.72 POLB (0.44) KCNA5C3AR1POLBCYP19A1EPHX2

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 6 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
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 3/4885C3AR1 4691/4885

“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.