SCHEMBL9928452

SCHEMBL9928452

CC(C)(C)OC(=O)NC(c1ccccc1)C(O)(c1ccccn1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB1 P18505 1/20 0.47
GABRB2 P47870 1/20 0.47
MAPT P10636 1/20 0.47
CTSK P43235 4/20 0.44
CTSS P25774 3/20 0.44
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
S1PR3 Q99500 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 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
SCHEMBL9903425 0.83 SMN1; SMN2 (0.44) HTTMEN1KMT2ALMNAMAPK1
SCHEMBL56893 0.80 GABRB1 (0.56) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL1954379 0.80 GABRB1 (0.56) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL56959 0.80 GABRB1 (0.56) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL9607542 0.78 GABRB1 (0.57) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL9607543 0.78 GABRB1 (0.57) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL15670448 0.76 GABRB1 (0.51) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL15670450 0.76 GABRB1 (0.51) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL17724424 0.76 MAPT (0.56) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL15289227 0.76 MAPT (0.56) GABRB1GABRB2MAPTCTSKCTSS

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 5 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-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
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 GABRB1 349/4885GABRB2 315/4885MAPT 2696/4885

“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.