SCHEMBL1242093

SCHEMBL1242093

COc1cccc(C(N2CCCC(F)C2)C(O)(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.52
KCNH2 Q12809 7/20 0.52
ROCK2 O75116 3/20 0.39
PRKG1 Q13976 3/20 0.39
CYP3A4 P08684 1/20 0.39
KLK7 P49862 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GLS O94925 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.37
LIMK2 P53671 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
GHSR Q92847 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL1240642 0.95 KCNA5 (0.49) KCNA5KCNH2ROCK2PRKG1CYP3A4
SCHEMBL1240407 0.89 KCNA5 (0.54) KCNA5KCNH2ROCK2PRKG1CYP3A4
SCHEMBL1242913 0.87 KCNA5 (0.68) KCNA5KCNH2CYP3A4KDM4EALDH1A1
SCHEMBL1242771 0.86 KCNA5 (0.69) KCNA5KCNH2CYP3A4ALDH1A1ABL1
SCHEMBL1242405 0.83 KCNA5 (0.54) KCNA5KCNH2ROCK2PRKG1CYP3A4
SCHEMBL1242240 0.83 KCNA5 (0.51) KCNA5KCNH2ROCK2PRKG1CYP3A4
SCHEMBL1242285 0.81 KCNA5 (0.54) KCNA5KCNH2ROCK2PRKG1CYP3A4
SCHEMBL1242146 0.81 KCNA5 (0.52) KCNA5KCNH2ROCK2PRKG1CYP3A4
SCHEMBL1242865 0.80 KCNA5 (0.49) KCNA5KCNH2ROCK2PRKG1CYP3A4
SCHEMBL1242968 0.80 KCNA5 (0.49) KCNA5KCNH2ROCK2PRKG1CYP3A4

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 3 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 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 11/4885KCNH2 3/4885ROCK2 1928/4885

“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.