SCHEMBL1382248

SCHEMBL1382248

OC(c1ccccc1)(c1ccccc1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.61
SMN1; SMN2 Q16637 1/20 0.55
KCNH2 Q12809 5/20 0.54
CFTR P13569 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
GOPC Q9HD26 1/20 0.53
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL1377119 0.89 KCNA5 (0.54) KCNA5SMN1; SMN2KCNH2CFTRSLC6A2
SCHEMBL12890848 0.83 KCNA5 (0.67) KCNA5SMN1; SMN2KCNH2CFTRSLC6A2
SCHEMBL1053425 0.80 KCNA5 (0.47) KCNA5KCNH2CYP1A2CYP3A4CYP2C9
SCHEMBL1053427 0.80 KCNA5 (0.47) KCNA5KCNH2CYP1A2CYP3A4CYP2C9
SCHEMBL3826605 0.80 KCNA5 (0.55) KCNA5SMN1; SMN2KCNH2
Ethane SCHEMBL29156734 0.77 CYP2D6 (0.46) KCNA5KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL1242051 0.76 KCNA5 (1.00) KCNA5SMN1; SMN2KCNH2CFTRSLC6A2
SCHEMBL1242526 0.76 KCNA5 (1.00) KCNA5SMN1; SMN2KCNH2CFTRSLC6A2
SCHEMBL3831842 0.76 KCNA5 (0.50) KCNA5SMN1; SMN2KCNH2CYP3A4
SCHEMBL11624747 0.75 KCNA5 (0.61) KCNA5KCNH2CYP1A2CYP3A4CYP2C9

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776355-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-06-12 EP claimed
JP-4719744-B2 2011-07-06 JP claimed
EP-1776355-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-08-12 EP claimed
EP-1776355-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-04-25 EP claimed
US-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias MERCK SHARP & DOHME LLC 2006-02-09 US claimed
WO-2006014877-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO claimed
EP-1776355-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-06-12 EP disclosed
EP-1776355-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-08-12 EP disclosed
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
EP-1776355-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-04-25 EP disclosed
US-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias MERCK SHARP & DOHME LLC 2006-02-09 US disclosed
WO-2006014877-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-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias KCNN2, KCNJ2, KCNH2 KCNA5 14/4885SMN1; SMN2 3609/4885KCNH2 3/4885

“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.