SCHEMBL1242526

SCHEMBL1242526

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 1.00
KCNH2 Q12809 7/20 0.58
SMN1; SMN2 Q16637 1/20 0.47
CFTR P13569 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GOPC Q9HD26 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL1242051 1.00 KCNA5 (1.00) KCNA5KCNH2SMN1; SMN2CFTRSLC6A2
SCHEMBL1243055 0.86 KCNA5 (0.75) KCNA5KCNH2
SCHEMBL1143220 0.82 KCNA5 (0.68) KCNA5CYP2C19HIF1A
SCHEMBL1143218 0.82 KCNA5 (0.68) KCNA5CYP2C19HIF1A
SCHEMBL1152870 0.82 KCNA5 (0.68) KCNA5CYP2C19HIF1A
SCHEMBL12890848 0.80 KCNA5 (0.67) KCNA5KCNH2SMN1; SMN2CFTRSLC6A2
SCHEMBL1242781 0.76 KCNA5 (0.66) KCNA5KCNH2SMN1; SMN2CFTRSLC6A2
SCHEMBL1242316 0.76 KCNA5 (1.00) KCNA5KCNH2SMN1; SMN2CYP3A4
SCHEMBL1242147 0.76 KCNA5 (0.66) KCNA5KCNH2SMN1; SMN2CFTRSLC6A2
SCHEMBL1382248 0.76 KCNA5 (0.61) KCNA5KCNH2SMN1; SMN2CFTRSLC6A2

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 3/4885SMN1; SMN2 4477/4885

“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.