SCHEMBL1243357

SCHEMBL1243357

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.52
KCNH2 Q12809 6/20 0.52
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 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
SCHEMBL1242933 1.00 KCNA5 (0.52) KCNA5KCNH2TSHRL3MBTL1LMNA
SCHEMBL1240848 0.87 NOTUM (0.53) KCNA5KCNH2LMNA
SCHEMBL4186497 0.87 KCNA5 (0.55) KCNA5KCNH2L3MBTL1LMNAHPGD
SCHEMBL1242054 0.85 KCNA5 (0.46) KCNA5KCNH2L3MBTL1LMNAHPGD
SCHEMBL1242927 0.85 KCNA5 (0.46) KCNA5KCNH2L3MBTL1LMNAHPGD
SCHEMBL1242273 0.84 KCNA5 (0.56) KCNA5KCNH2LMNAHPGDHTT
SCHEMBL1243109 0.83 KCNA5 (0.51) KCNA5KCNH2LMNAHPGDHTT
SCHEMBL1243112 0.83 KCNA5 (0.51) KCNA5KCNH2LMNAHPGDHTT
SCHEMBL9902165 0.82 KCNA5 (0.58) KCNA5KCNH2SMN1; SMN2
SCHEMBL9901968 0.82 KCNA5 (0.58) KCNA5KCNH2SMN1; SMN2

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 3/4885TSHR 2897/4885

“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.