SCHEMBL1243091

SCHEMBL1243091

O=c1ccccn1[C@H](c1ccccn1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.40
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CFTR P13569 1/20 0.36
GOPC Q9HD26 1/20 0.36
KCNE1 P15382 1/20 0.36
CYP2A6 P11509 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNN4 O15554 2/20 0.34
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
KCND3 Q9UK17 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL1243310 1.00 KCNA5 (0.40) KCNA5SLC6A2SLC6A4SLC6A3CFTR
SCHEMBL1241967 1.00 KCNA5 (0.40) KCNA5SLC6A2SLC6A4SLC6A3CFTR
SCHEMBL1242437 0.92 KCNA5 (0.42) KCNA5SLC6A2SLC6A4SLC6A3CFTR
SCHEMBL1242156 0.86 CFTR (0.42) KCNA5SLC6A2SLC6A4SLC6A3CFTR
SCHEMBL1242211 0.83 KCNA5 (0.33) KCNA5SLC6A2SLC6A4SLC6A3CFTR
SCHEMBL1242597 0.82 KCNA5 (0.40) KCNA5SLC6A2SLC6A4SLC6A3CFTR
SCHEMBL1242623 0.79 KCNA5 (0.44) KCNA5SLC6A2SLC6A4SLC6A3CFTR
SCHEMBL1242470 0.78 KCNE1 (0.38) KCNA5KCNE1SMN1; SMN2KCND3ALDH1A1
SCHEMBL1242046 0.76 KCNA5 (0.41) KCNA5SLC6A2SLC6A4SLC6A3CFTR
SCHEMBL1241452 0.76 KCNE1 (0.37) KCNA5KCNE1SMN1; SMN2KCND3ALDH1A1

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 11/4885SLC6A2 382/4885SLC6A4 579/4885

“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.