SCHEMBL12890249

SCHEMBL12890249

CC(C)N(C)COc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
MAOA P21397 1/20 0.44
PTGS1 P23219 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
LTA4H P09960 3/20 0.43
KCNA3 P22001 1/20 0.43
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
CYP2D6 P10635 1/20 0.40
ADRB3 P13945 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 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
SCHEMBL12744959 0.80 LTA4H (0.58) LMNALTA4HKCNA3SMN1; SMN2HTR1D
SCHEMBL16421292 0.79 LSS (0.54) LTA4HKCNA3SMN1; SMN2HTR1BALDH1A1
SCHEMBL863049 0.78 TAAR1 (0.50) LMNATAAR1LTA4HKCNA3SMN1; SMN2
SCHEMBL12456886 0.78 LTA4H (0.53) LMNATAAR1LTA4HKCNA3SMN1; SMN2
SCHEMBL45031 0.74 TAAR1 (0.46) LMNAMAOAPTGS1TAAR1LTA4H
SCHEMBL45032 0.74 TAAR1 (0.52) LMNAMAOAPTGS1TAAR1LTA4H
SCHEMBL16425203 0.72 HTT (0.46) LMNATAAR1LTA4HKCNA3SMN1; SMN2
SCHEMBL29027684 0.72 LMNA (0.55) LMNAMAOAPTGS1LTA4HADRB2
SCHEMBL19533014 0.71 LMNA (0.59) LMNAMAOAPTGS1MTNR1AMTNR1B
Anisole SCHEMBL27502886 0.71 CA4 (0.58) TAAR1LTA4HKCNA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 815/4885MAOA 3105/4885PTGS1 2291/4885

“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.