SCHEMBL1243296

SCHEMBL1243296

N#Cc1ccc(C(NCCF)C(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.56
CYP11B2 P19099 4/20 0.42
KCNA5 P22460 4/20 0.41
CYP11B1 P15538 3/20 0.38
KCNH2 Q12809 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP3A5 P20815 1/20 0.37
CYP17A1 P05093 1/20 0.35
NPY5R Q15761 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
VNN1 O95497 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
SCHEMBL1240776 0.86 CYP19A1 (0.55) CYP19A1CYP11B2KCNA5CYP11B1KCNH2
SCHEMBL1240067 0.85 CYP19A1 (0.53) CYP19A1CYP11B2KCNA5CYP11B1KCNH2
SCHEMBL1243189 0.77 CYP19A1 (0.46) CYP19A1CYP11B2KCNA5CYP11B1KCNH2
SCHEMBL1242332 0.76 CYP19A1 (0.48) CYP19A1CYP11B2KCNA5CYP11B1KCNH2
SCHEMBL1243076 0.73 KCNA5 (0.46) CYP19A1CYP11B2KCNA5CYP11B1KCNH2
SCHEMBL9790964 0.73 CYP19A1 (1.00) CYP19A1CYP11B2KCNA5CYP11B1KCNH2
SCHEMBL2354875 0.73 CYP19A1 (1.00) CYP19A1CYP11B2KCNA5CYP11B1KCNH2
SCHEMBL1376729 0.72 KCNA5 (0.46) CYP19A1CYP11B2KCNA5CYP11B1KCNH2
SCHEMBL1240498 0.72 SIGMAR1 (0.43) KCNA5KCNH2MAPT
SCHEMBL1242824 0.72 POLB (0.42) CYP19A1KCNA5KCNH2

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 CYP19A1 4632/4885CYP11B2 2950/4885KCNA5 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.