SCHEMBL1243112

SCHEMBL1243112

O=C(Cc1ccccc1)N[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.51
EPHX2 P34913 1/20 0.50
CNR2 P34972 2/20 0.49
ECE1 P42892 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
KCNH2 Q12809 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ITGB3 P05106 3/20 0.44
ITGAV P06756 3/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL1243109 1.00 KCNA5 (0.51) KCNA5EPHX2CNR2ECE1CYP1A2
SCHEMBL1243151 0.88 CYP1A2 (0.52) KCNA5EPHX2CYP1A2CYP3A4CYP2C9
SCHEMBL1243149 0.88 CYP1A2 (0.52) KCNA5EPHX2CYP1A2CYP3A4CYP2C9
SCHEMBL1242273 0.86 KCNA5 (0.56) KCNA5EPHX2KCNH2LMNAHPGD
SCHEMBL4186497 0.86 KCNA5 (0.55) KCNA5EPHX2KCNH2LMNAHPGD
SCHEMBL1242892 0.86 KCNA5 (0.47) KCNA5EPHX2CYP1A2CYP3A4CYP2C9
SCHEMBL1242893 0.86 KCNA5 (0.47) KCNA5EPHX2CYP1A2CYP3A4CYP2C9
SCHEMBL1242927 0.85 KCNA5 (0.46) KCNA5EPHX2CYP1A2CYP3A4CYP2C9
SCHEMBL1242054 0.85 KCNA5 (0.46) KCNA5EPHX2CYP1A2CYP3A4CYP2C9
SCHEMBL1240848 0.85 NOTUM (0.53) KCNA5KCNH2LMNA

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 11/4885EPHX2 3824/4885CNR2 2350/4885

“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.