SCHEMBL1242866

SCHEMBL1242866

Fc1ccc(C(C(c2cccnc2)c2cccnc2)N2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
THRB P10828 1/20 0.51
KCNA5 P22460 3/20 0.46
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 1/20 0.44
KCNH2 Q12809 2/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
CYP2D6 P10635 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
ACHE P22303 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL1243214 0.96 KCNA5 (0.49) MAPTTHRBKCNA5ALDH1A1KDM4E
SCHEMBL1242116 0.90 MAPT (0.46) MAPTTHRBKCNA5ALDH1A1KDM4E
SCHEMBL1240803 0.89 KCNA5 (0.52) MAPTTHRBKCNA5ALDH1A1KDM4E
SCHEMBL1240440 0.88 KCNA5 (0.45) KCNA5ALDH1A1KCNH2CYP3A4CYP2C9
SCHEMBL1242829 0.81 P2RX7 (0.46) MAPTKCNA5ALDH1A1KDM4EHSD17B10
SCHEMBL1243271 0.81 ALDH1A1 (0.47) MAPTTHRBKCNA5ALDH1A1KDM4E
SCHEMBL1242226 0.81 KCNA5 (0.45) MAPTTHRBKCNA5ALDH1A1KDM4E
SCHEMBL1242284 0.80 KCNA5 (0.47) MAPTTHRBKCNA5ALDH1A1KDM4E
SCHEMBL1243292 0.80 POLB (0.54) MAPTKCNA5ALDH1A1KDM4EHSD17B10
SCHEMBL1242030 0.79 KCNA5 (0.49) MAPTKCNA5ALDH1A1KDM4EHSD17B10

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 13 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
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP claimed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US claimed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP claimed
WO-2006015159-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO 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 MAPT 2696/4885THRB 1940/4885KCNA5 11/4885

“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.