SCHEMBL1242090

SCHEMBL1242090

O=C1OCCN1C(c1cccc(Br)n1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.33
KDM4E B2RXH2 2/20 0.32
KCNA5 P22460 4/20 0.32
KCNN4 O15554 3/20 0.32
KCNE1 P15382 1/20 0.32
KCNQ1 P51787 1/20 0.32
KCND3 Q9UK17 1/20 0.32
CNR2 P34972 1/20 0.31
P2RX7 Q99572 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HSD17B10 Q99714 2/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL1240773 0.94 IDH1 (0.32) IDH1KCNA5KCNN4KCNE1KCNQ1
SCHEMBL1242252 0.83 KCNA5 (0.39) KDM4EKCNA5KCNN4KCNE1CNR2
SCHEMBL1240337 0.80 KCNA5 (0.43) KDM4EKCNA5P2RX7ALDH1A1HSD17B10
SCHEMBL1243229 0.77 CYP19A1 (0.42) KDM4EKCNA5KCNE1KCNQ1KCND3
SCHEMBL1242457 0.77 CYP19A1 (0.46) KDM4EALDH1A1
SCHEMBL1242105 0.75 MGLL (0.41) KCNA5ALDH1A1
SCHEMBL1242436 0.75 CYP19A1 (0.49) KCNA5
SCHEMBL3899448 0.73 KCNA5 (0.47) KDM4EKCNA5KCNN4KCNE1KCNQ1
SCHEMBL1243196 0.72 OPRM1 (0.36) KCNA5KCNN4KCNE1KCNQ1KCND3
SCHEMBL1243070 0.69 MGLL (0.40) KCNA5ALDH1A1TSHR

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 9 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
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 IDH1 2051/4885KDM4E 364/4885KCNA5 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.