SCHEMBL1242214

SCHEMBL1242214

O=C(N[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1)C1CCN(c2ncccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
LMNA P02545 3/20 0.46
KCNA5 P22460 5/20 0.46
KCNH2 Q12809 4/20 0.46
HTT P42858 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CYP2C19 P33261 1/20 0.44
MALT1 Q9UDY8 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL1242161 0.88 KCNA5 (0.51) LMNAKCNA5KCNH2ALDH1A1
SCHEMBL1242260 0.85 KCNA5 (0.50) LMNAKCNA5KCNH2
SCHEMBL1242484 0.85 KCNA5 (0.50) LMNAKCNA5KCNH2
SCHEMBL1242489 0.85 KCNA5 (0.50) LMNAKCNA5KCNH2
SCHEMBL1242395 0.83 CHRM2 (0.53) LMNAALDH1A1
SCHEMBL9902165 0.76 KCNA5 (0.58) KCNA5KCNH2
SCHEMBL9901968 0.76 KCNA5 (0.58) KCNA5KCNH2
SCHEMBL1242295 0.74 CYP3A4 (0.47) LMNAKCNA5KCNH2HTTALDH1A1
SCHEMBL1242299 0.74 CYP3A4 (0.47) LMNAKCNA5KCNH2HTTALDH1A1
SCHEMBL1240787 0.72 KCNA5 (0.53) KCNA5KCNH2ALDH1A1

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 KDM4E 364/4885LMNA 815/4885KCNA5 11/4885

“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.