SCHEMBL1242047

SCHEMBL1242047

O=C(CCCc1ccccc1)N[C@H](c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
KDM6B O15054 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KCNA5 P22460 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPK14 Q16539 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR2 P34972 1/20 0.40
EPHX2 P34913 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
TBXAS1 P24557 1/20 0.39

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
SCHEMBL1242892 0.93 KCNA5 (0.47) LMNAKDM6BKDM4DKDM4CKCNA5
SCHEMBL1242893 0.93 KCNA5 (0.47) LMNAKDM6BKDM4DKDM4CKCNA5
SCHEMBL1240766 0.89 KCNA5 (0.45) KDM6BKDM4DKDM4CKCNA5SMN1; SMN2
SCHEMBL1243151 0.86 CYP1A2 (0.52) LMNAKDM6BKDM4DKDM4CKCNA5
SCHEMBL1243149 0.86 CYP1A2 (0.52) LMNAKDM6BKDM4DKDM4CKCNA5
SCHEMBL1243103 0.83 ADAMTS5 (0.41) LMNAKCNA5SMN1; SMN2CNR2EPHX2
SCHEMBL4580891 0.81 POLB (0.48) KCNA5EPHX2POLB
SCHEMBL1243724 0.80 POLB (0.39) LMNAKCNA5CNR2EPHX2GAA
SCHEMBL1243112 0.80 KCNA5 (0.51) LMNAKCNA5SMN1; SMN2CYP1A2CYP3A4
SCHEMBL1243109 0.80 KCNA5 (0.51) LMNAKCNA5SMN1; SMN2CYP1A2CYP3A4

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 6 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
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 LMNA 815/4885KDM6B 615/4885KDM4D 795/4885

“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.