SCHEMBL1242438

SCHEMBL1242438

N#Cc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCC(OC(=O)Nc3ccccc3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.46
BCHE P06276 4/20 0.43
SGMS2 Q8NHU3 1/20 0.42
CHRNA7 P36544 2/20 0.41
ACHE P22303 1/20 0.41
KCNA5 P22460 2/20 0.41
THRB P10828 1/20 0.40
TP53 P04637 1/20 0.39
GRM5 P41594 1/20 0.38

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
SCHEMBL1243549 0.79 THRB (0.45) MGLLSGMS2KCNA5THRBTP53
SCHEMBL1243551 0.79 THRB (0.45) MGLLSGMS2KCNA5THRBTP53
SCHEMBL9901432 0.78 MGLL (0.46) MGLLKCNA5
SCHEMBL1376017 0.76 BCHE (0.48) MGLLBCHESGMS2CHRNA7ACHE
SCHEMBL1242330 0.75 MGLL (0.46) MGLLKCNA5
SCHEMBL1242037 0.73 KCNA5 (0.45) MGLLKCNA5
SCHEMBL1242039 0.73 KCNA5 (0.45) MGLLKCNA5
SCHEMBL1243334 0.73 KCNA5 (0.45) MGLLKCNA5
SCHEMBL1243596 0.73 KCNA5 (0.41) MGLLKCNA5
SCHEMBL1243595 0.73 CYP3A4 (0.44) MGLLKCNA5

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 7 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
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 MGLL 1647/4885BCHE 3719/4885SGMS2 2209/4885

“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.