SCHEMBL1242356

SCHEMBL1242356

N#Cc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCOC(O)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
KCNA5 P22460 5/20 0.38
CYP19A1 P11511 1/20 0.37
VNN1 O95497 1/20 0.36
KCNH2 Q12809 2/20 0.36
USP30 Q70CQ3 5/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CRHBP P24387 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA5 P30532 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL1243334 0.84 KCNA5 (0.45) MGLLKCNA5CYP19A1KCNH2ALDH1A1
SCHEMBL1242039 0.84 KCNA5 (0.45) MGLLKCNA5CYP19A1KCNH2ALDH1A1
SCHEMBL1242037 0.84 KCNA5 (0.45) MGLLKCNA5CYP19A1KCNH2ALDH1A1
SCHEMBL1243188 0.83 MGLL (0.42) MGLLKCNA5CYP19A1VNN1KCNH2
SCHEMBL1242221 0.79 MGLL (0.42) MGLLKCNA5CYP19A1VNN1KCNH2
SCHEMBL1242330 0.77 MGLL (0.46) MGLLKCNA5CYP19A1VNN1KCNH2
SCHEMBL1242105 0.74 MGLL (0.41) MGLLKCNA5CYP19A1VNN1KCNH2
SCHEMBL1243070 0.73 MGLL (0.40) MGLLKCNA5CYP19A1VNN1KCNH2
SCHEMBL1240966 0.72 MGLL (0.43) MGLLKCNA5CYP19A1VNN1KCNH2
SCHEMBL1242874 0.72 KCNA5 (0.40) MGLLKCNA5CYP19A1VNN1KCNH2

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 MGLL 1647/4885KCNA5 11/4885CYP19A1 4632/4885

“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.