SCHEMBL1243763

SCHEMBL1243763

COc1ccc(Oc2cccc(CNC(c3cccc(C#N)c3)C(c3cccnc3)c3cccnc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
VNN1 O95497 2/20 0.42
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
CYP19A1 P11511 2/20 0.41
CLK4 Q9HAZ1 2/20 0.40
DYRK1A Q13627 1/20 0.40
GRM5 P41594 1/20 0.39
SCN9A Q15858 1/20 0.39
CASR P41180 2/20 0.38
ACP1 P24666 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL1243167 0.80 TSHR (0.41) KCNA5ALDH1A1VNN1ADRB1ADRB3
SCHEMBL1242332 0.80 CYP19A1 (0.48) KCNA5ALDH1A1KDM4EVNN1CYP19A1
SCHEMBL1240979 0.78 VNN1 (0.44) KCNA5ALDH1A1KDM4EVNN1CLK4
SCHEMBL1243126 0.77 KCNA5 (0.40) KCNA5ALDH1A1KDM4EVNN1CYP19A1
SCHEMBL1243076 0.77 KCNA5 (0.46) KCNA5ALDH1A1VNN1CYP19A1CLK4
SCHEMBL1240759 0.77 KCNA5 (0.46) KCNA5ALDH1A1KDM4ECYP19A1CLK4
SCHEMBL1243158 0.74 CYP1A2 (0.41) KCNA5ALDH1A1KDM4EVNN1CYP19A1
SCHEMBL1242943 0.74 VNN1 (0.40) KCNA5ALDH1A1KDM4EVNN1CYP19A1
SCHEMBL1243799 0.73 KCNA5 (0.55) KCNA5ALDH1A1KDM4EVNN1CYP19A1
SCHEMBL1243189 0.73 CYP19A1 (0.46) KCNA5ALDH1A1VNN1CYP19A1CLK4

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 10 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
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 11/4885ALDH1A1 2989/4885KDM4E 364/4885

“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.