SCHEMBL1243390

SCHEMBL1243390

COC(=O)CC(c1ccccc1)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 4/20 0.50
MAPK1 P28482 2/20 0.50
P2RX7 Q99572 1/20 0.50
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
THRB P10828 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47

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
Hydrochloric Acid SCHEMBL20600115 0.99 LMNA (0.51) ALDH1A1HSD17B10KDM4EMAPTMAPK1
Hydrochloric Acid SCHEMBL21838887 0.99 LMNA (0.51) ALDH1A1HSD17B10KDM4EMAPTMAPK1
SCHEMBL7695920 0.84 ALDH1A1 (0.51) ALDH1A1HSD17B10MAPTMAPK1P2RX7
SCHEMBL10858958 0.84 MAPT (0.52) ALDH1A1MAPTMAPK1LMNACYP2C19
SCHEMBL28276335 0.81 ALDH1A1 (0.51) ALDH1A1HSD17B10MAPTMAPK1LMNA
SCHEMBL20746152 0.80 P2RX7 (0.60) ALDH1A1HSD17B10KDM4EMAPTMAPK1
SCHEMBL6318911 0.80 CYP2C19 (0.74) ALDH1A1HSD17B10KDM4EMAPTMAPK1
SCHEMBL11990089 0.78 KCNA5 (0.47) ALDH1A1HSD17B10MAPK1LMNACYP2C19
SCHEMBL1667533 0.76 ALDH1A1 (0.49) ALDH1A1HSD17B10P2RX7LMNACYP2C19
SCHEMBL11651599 0.76 OPRL1 (0.58) ALDH1A1HSD17B10CYP2C19CYP3A4TSHR

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 2989/4885HSD17B10 1980/4885KDM4E 364/4885

“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.