SCHEMBL1242858

SCHEMBL1242858

CC(C)C(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 15/20 1.00
KCNH2 Q12809 9/20 1.00
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 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
SCHEMBL9902767 0.96 KCNA5 (0.93) KCNA5KCNH2ALDH1A1KDM4EHSD17B10
SCHEMBL1242050 0.86 KCNA5 (0.76) KCNA5KCNH2ALDH1A1KDM4EHSD17B10
SCHEMBL1242194 0.81 KCNA5 (0.78) KCNA5KCNH2ALDH1A1KDM4EHSD17B10
SCHEMBL1240366 0.79 KCNA5 (1.00) KCNA5KCNH2ALDH1A1CYP3A4CYP2D6
SCHEMBL1243261 0.79 KCNA5 (0.87) KCNA5KCNH2ALDH1A1KDM4EHSD17B10
SCHEMBL1242083 0.77 KCNA5 (1.00) KCNA5KCNH2ALDH1A1KDM4EHSD17B10
SCHEMBL9902500 0.76 KCNA5 (0.74) KCNA5KCNH2ALDH1A1LMNACYP3A4
SCHEMBL1243354 0.76 KCNA5 (0.98) KCNA5KCNH2ALDH1A1KDM4EHSD17B10
SCHEMBL1242755 0.75 KCNA5 (1.00) KCNA5KCNH2ALDH1A1LMNACYP3A4
SCHEMBL1243073 0.75 KCNA5 (1.00) KCNA5KCNH2ALDH1A1CYP3A4CYP2C9

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 KCNA5 11/4885KCNH2 3/4885ALDH1A1 2989/4885

“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.