SCHEMBL1243058

SCHEMBL1243058

O=C(O)N(CCc1ccccc1)[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.58
KCNH2 Q12809 7/20 0.57
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
HIF1A Q16665 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 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
SCHEMBL1242838 0.89 KCNA5 (0.62) KCNA5KCNH2CYP1A2CYP3A4CYP2C9
SCHEMBL1242079 0.82 KCNA5 (0.53) KCNA5KCNH2CYP1A2CYP3A4CYP2C9
SCHEMBL1242980 0.77 KCNA5 (0.65) KCNA5KCNH2CYP1A2CYP3A4LMNA
SCHEMBL1242823 0.76 KCNA5 (0.67) KCNA5KCNH2CYP1A2CYP3A4LMNA
SCHEMBL1242947 0.76 KCNA5 (0.67) KCNA5KCNH2CYP1A2CYP3A4LMNA
SCHEMBL1242316 0.74 KCNA5 (1.00) KCNA5KCNH2CYP3A4SMN1; SMN2
SCHEMBL1242561 0.74 KCNA5 (1.00) KCNA5KCNH2CYP1A2CYP3A4CYP2C9
SCHEMBL1243116 0.73 KCNA5 (0.76) KCNA5KCNH2CYP1A2CYP3A4CYP2C9
SCHEMBL1242843 0.73 KCNA5 (1.00) KCNA5KCNH2CYP3A4SMN1; SMN2
SCHEMBL1242189 0.72 KCNA5 (0.62) KCNA5KCNH2CYP3A4LMNAHTT

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 3/4885CYP1A2 2371/4885

“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.