SCHEMBL1242893

SCHEMBL1242893

O=C(CCCc1ccccc1)N[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.47
KDM6B O15054 1/20 0.46
KDM4D Q6B0I6 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
EPHX2 P34913 1/20 0.43

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 1.00 KCNA5 (0.47) KCNA5KDM6BKDM4DKDM4CSMN1; SMN2
SCHEMBL1240766 0.96 KCNA5 (0.45) KCNA5KDM6BKDM4DKDM4CSMN1; SMN2
SCHEMBL1243151 0.93 CYP1A2 (0.52) KCNA5KDM6BKDM4DKDM4CSMN1; SMN2
SCHEMBL1243149 0.93 CYP1A2 (0.52) KCNA5KDM6BKDM4DKDM4CSMN1; SMN2
SCHEMBL1242047 0.93 LMNA (0.46) KCNA5KDM6BKDM4DKDM4CSMN1; SMN2
SCHEMBL1243112 0.86 KCNA5 (0.51) KCNA5SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL1243109 0.86 KCNA5 (0.51) KCNA5SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL1242117 0.83 SMN1; SMN2 (0.53) KCNA5SMN1; SMN2CYP2C9CYP2C19KCNH2
SCHEMBL1242249 0.83 KCNA5 (0.48) KCNA5SMN1; SMN2CYP2C9CYP2C19KCNH2
SCHEMBL1243168 0.83 KCNA5 (0.45) KCNA5SMN1; SMN2CYP1A2CYP3A4CYP2C9

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 11/4885KDM6B 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.