SCHEMBL1243596

SCHEMBL1243596

CS(=O)(=O)N(C1CC1)C1CCN(C(c2cccc(C#N)c2)C(c2cccnc2)c2cccnc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.41
CYP3A4 P08684 5/20 0.40
MGLL Q99685 1/20 0.40
CCR5 P51681 1/20 0.37
VNN1 O95497 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
NR1I2 O75469 2/20 0.34
CACNA1B Q00975 2/20 0.34
CYP19A1 P11511 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
UCHL1 P09936 1/20 0.34
USP30 Q70CQ3 1/20 0.34
ALDH1A1 P00352 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

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
SCHEMBL1243595 0.91 CYP3A4 (0.44) KCNA5CYP3A4MGLLCCR5VNN1
SCHEMBL1240757 0.88 KCNA5 (0.42) KCNA5CYP3A4MGLLCCR5VNN1
SCHEMBL1243062 0.85 KCNA5 (0.42) KCNA5CYP3A4MGLLCCR5UCHL1
SCHEMBL1243080 0.85 CYP3A4 (0.41) KCNA5CYP3A4MGLLCCR5VNN1
SCHEMBL1242190 0.83 KCNA5 (0.41) KCNA5CYP3A4MGLLCCR5VNN1
SCHEMBL1382310 0.83 CYP3A4 (0.39) KCNA5CYP3A4MGLLCCR5CYP11B1
SCHEMBL9901432 0.80 MGLL (0.46) KCNA5MGLL
SCHEMBL1242330 0.78 MGLL (0.46) KCNA5MGLLVNN1CYP11B1CYP11B2
SCHEMBL1242039 0.77 KCNA5 (0.45) KCNA5CYP3A4MGLLCYP19A1ALDH1A1
SCHEMBL1242037 0.77 KCNA5 (0.45) KCNA5CYP3A4MGLLCYP19A1ALDH1A1

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 11/4885CYP3A4 1526/4885MGLL 1647/4885

“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.