SCHEMBL1242029

SCHEMBL1242029

COC(=O)C(c1ccccc1)N1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
LMNA P02545 4/20 0.71
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
OPRM1 P35372 1/20 0.63
OPRK1 P41145 1/20 0.63
OPRL1 P41146 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.62
TSHR P16473 4/20 0.59
CYP3A4 P08684 3/20 0.56
CYP2C19 P33261 2/20 0.56
NPY2R P49146 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
GAA P10253 2/20 0.51
HIF1A Q16665 1/20 0.50

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
SCHEMBL7657250 0.86 LMNA (0.94) ALDH1A1LMNAMEN1KMT2AOPRM1
SCHEMBL15063194 0.85 TSHR (0.62) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL3235286 0.85 ALDH1A1 (0.52) ALDH1A1LMNAMEN1KMT2AOPRM1
SCHEMBL28867171 0.85 ADRB2 (0.62) ALDH1A1LMNAMEN1KMT2AOPRM1
SCHEMBL2789416 0.84 LMNA (0.97) ALDH1A1LMNAMEN1KMT2AOPRM1
SCHEMBL1819794 0.84 LMNA (0.97) ALDH1A1LMNAMEN1KMT2AOPRM1
SCHEMBL1706030 0.84 ALDH1A1 (0.73) ALDH1A1LMNAL3MBTL1TSHRCYP3A4
SCHEMBL627906 0.84 ALDH1A1 (0.73) ALDH1A1LMNAL3MBTL1TSHRCYP3A4
SCHEMBL14590786 0.84 ALDH1A1 (0.69) ALDH1A1LMNAMEN1KMT2AOPRM1
Hydrochloric Acid SCHEMBL5606289 0.83 LMNA (1.00) ALDH1A1LMNAMEN1KMT2AOPRM1

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 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
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP disclosed
WO-2006015159-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO 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 ALDH1A1 2989/4885LMNA 815/4885MEN1 2152/4885

“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.