SCHEMBL1242840

SCHEMBL1242840

CCOc1cccc(C(N2CCCC2)C(O)(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 14/20 0.64
KCNH2 Q12809 10/20 0.64
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
S1PR1 P21453 1/20 0.38
CYP3A4 P08684 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
SCHEMBL1242913 0.88 KCNA5 (0.68) KCNA5KCNH2KDM4EALDH1A1CYP3A4
SCHEMBL1242771 0.87 KCNA5 (0.69) KCNA5KCNH2ALDH1A1CYP3A4
SCHEMBL1243523 0.84 KCNA5 (0.65) KCNA5KCNH2
SCHEMBL1242186 0.82 KCNA5 (0.73) KCNA5KCNH2
SCHEMBL1242854 0.81 KCNA5 (0.63) KCNA5KCNH2KDM4EMEN1POLB
SCHEMBL1243278 0.80 KCNA5 (0.73) KCNA5KCNH2POLB
SCHEMBL1242816 0.80 KCNA5 (0.73) KCNA5KCNH2KDM4ECYP3A4
SCHEMBL1242073 0.80 KCNA5 (0.73) KCNA5KCNH2KDM4E
SCHEMBL1242084 0.79 KCNA5 (1.00) KCNA5KCNH2KDM4ECYP3A4
SCHEMBL1240066 0.79 KCNA5 (0.75) KCNA5KCNH2CYP3A4

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 3/4885KDM4E 364/4885

“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.