SCHEMBL1242218

SCHEMBL1242218

CC(C)(C)OC(=O)NCCNC(c1cccc(C#N)c1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.45
VNN1 O95497 1/20 0.42
CYP3A4 P08684 5/20 0.41
NAMPT P43490 1/20 0.38
MGLL Q99685 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
CYP19A1 P11511 1/20 0.37
IDO1 P14902 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
BRAF P15056 1/20 0.36
LATS1 O95835 1/20 0.36
GRM5 P41594 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1376729 0.85 KCNA5 (0.46) KCNA5VNN1NAMPTMGLLCTSS
SCHEMBL1243799 0.82 KCNA5 (0.55) KCNA5VNN1MGLLSGMS2CYP19A1
SCHEMBL9903713 0.80 KCNA5 (0.46) KCNA5VNN1MGLLCTSSCTSK
SCHEMBL1243189 0.80 CYP19A1 (0.46) KCNA5VNN1CYP3A4MGLLSGMS2
SCHEMBL1243076 0.78 KCNA5 (0.46) KCNA5VNN1CYP3A4MGLLCTSS
SCHEMBL1242304 0.77 KCNA5 (0.47) KCNA5VNN1NAMPTMGLLSGMS2
SCHEMBL9903845 0.77 KCNA5 (0.44) KCNA5VNN1MGLLCTSSCTSK
SCHEMBL9903840 0.75 KCNA5 (0.44) KCNA5VNN1NAMPTMGLLCTSS
SCHEMBL1242307 0.75 KCNA5 (0.48) KCNA5VNN1NAMPTMGLLSGMS2
SCHEMBL1242332 0.75 CYP19A1 (0.48) KCNA5VNN1CYP3A4SGMS2CYP19A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 11/4885VNN1 2972/4885CYP3A4 1526/4885

“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.