SCHEMBL12890653

SCHEMBL12890653

CC(C)N1CCC(OC(=O)Nc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.64
ALDH1A1 P00352 1/20 0.63
ACHE P22303 3/20 0.62
CHRNA7 P36544 2/20 0.53
MAOB P27338 2/20 0.53
CCR3 P51677 1/20 0.52
FAAH O00519 1/20 0.51
MGLL Q99685 1/20 0.51
CHRM3 P20309 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL12890370 0.87 ACHE (0.55) BCHEALDH1A1ACHECHRNA7MAOB
SCHEMBL12890021 0.85 BCHE (0.69) BCHEACHECHRNA7MAOBCCR3
SCHEMBL27544341 0.83 BCHE (0.66) BCHEACHECHRNA7MAOBCCR3
SCHEMBL5809206 0.80 FAAH (0.73) BCHEACHECHRNA7MAOBFAAH
SCHEMBL27751851 0.79 KMT2A (0.68) ALDH1A1CHRNA7
SCHEMBL16800289 0.79 ALDH1A1 (0.66) ALDH1A1FAAH
SCHEMBL27858010 0.79 BCHE (0.76) BCHEACHECHRNA7MAOBCCR3
SCHEMBL2576912 0.79 FAAH (0.76) BCHEACHECHRNA7MAOBFAAH
SCHEMBL20088734 0.77 ALDH1A1 (1.00) ALDH1A1CHRNA7RAB9A
SCHEMBL28171857 0.77 BCHE (0.70) BCHEACHEMAOBCCR3CHRM3

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 BCHE 3719/4885ALDH1A1 2989/4885ACHE 1756/4885

“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.