SCHEMBL1243030

SCHEMBL1243030

COc1ccc(CN(C2CCC2)C(c2ccc(F)cc2)C(O)(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.45
KCNH2 Q12809 3/20 0.45
CYP3A4 P08684 3/20 0.41
CYP19A1 P11511 1/20 0.41
TP53 P04637 2/20 0.37
RORC P51449 2/20 0.37
CYP3A5 P20815 1/20 0.37
CXCR3 P49682 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
DAGLA Q9Y4D2 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
SCHEMBL1242768 0.74 KCNA5 (0.68) KCNA5KCNH2MAPT
SCHEMBL1242864 0.73 KCNA5 (0.49) KCNA5KCNH2CYP3A4CYP3A5UBE2M
SCHEMBL1243276 0.73 KCNA5 (0.67) KCNA5KCNH2MAPT
SCHEMBL1242759 0.72 KCNA5 (0.65) KCNA5KCNH2MAPT
SCHEMBL1243547 0.71 KCNA5 (0.70) KCNA5KCNH2CYP3A4
SCHEMBL1242079 0.70 KCNA5 (0.53) KCNA5KCNH2CYP3A4CYP19A1CXCR3
SCHEMBL1240066 0.69 KCNA5 (0.75) KCNA5KCNH2CYP3A4CYP19A1
SCHEMBL1243052 0.68 KCNA5 (0.55) KCNA5KCNH2CYP3A4CYP19A1LMNA
SCHEMBL11631843 0.68 CYP19A1 (0.68) CYP3A4CYP19A1CYP3A5LMNA
SCHEMBL1242035 0.67 KCNA5 (0.43) KCNA5KCNH2CYP19A1POLB

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 3/4885CYP3A4 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.