Ether

Ether

SCHEMBL453112

CCOCC.Fc1ccccc1CBr

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
TAAR1 Q96RJ0 3/20 0.42
AOC3 Q16853 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MCL1 Q07820 1/20 0.37
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAOB P27338 2/20 0.36
RIPK1 Q13546 2/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL30765100 0.85
SCHEMBL20465742 0.85
SCHEMBL5054 0.85
SCHEMBL4441044 0.83 TAAR1 (0.52) IDO1TAAR1AOC3ALDH1A1L3MBTL1
SCHEMBL1538044 0.83 TAAR1 (0.52) IDO1TAAR1AOC3ALDH1A1L3MBTL1
Benzene SCHEMBL28870609 0.83 TAAR1 (0.52) IDO1TAAR1AOC3ALDH1A1KDM4E
Water SCHEMBL450787 0.83 TAAR1 (0.52) IDO1TAAR1AOC3ALDH1A1L3MBTL1
SCHEMBL12874173 0.79 IDO1 (0.57) IDO1TAAR1AOC3ALDH1A1KDM4E
Formic Acid Methyl Ester SCHEMBL28105659 0.77 IDO1 (0.41) IDO1TAAR1AOC3ALDH1A1L3MBTL1
Benzyl Bromide SCHEMBL6043969 0.75 ALDH1A1 (0.61) IDO1TAAR1AOC3ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065219-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-03-15 US disclosed
US-8076350-B2 3H-(4's)-1'-azaspiro[benzofuran-2,4']-tricyclo[3.3.1.13,7]decane; for therapy of memory disorder, cognitive disorder, neurodegeneration, and neurodevelopmental disorder; attention deficit disorder, attention deficit hyperactivity disorder (ADHD), Alzheimer's disease (AD), mild cognitive impairment ABBOTT LABORATORIES (US) 2011-12-13 US disclosed
EP-2253631-A1 Spyrocyclic quiniclidinic ether derivatives Abbott Laboratories (US) 2010-11-24 EP disclosed
EP-2114943-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE Abbott Laboratories (US) 2009-11-11 EP disclosed
WO-2008079570-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-07-03 WO disclosed
US-20080153860-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
US-7045530-B2 Spirocyclic quinuclidinic ether derivatives ABBOTT LABORATORIES (US) 2006-05-16 US disclosed
US-20050137219-A1 Spirocyclic quinuclidinic ether derivatives ABBVIE INC. 2005-06-23 US disclosed
US-20050137217-A1 Spirocyclic quinuclidinic ether derivatives ABBOTT LABORATORIES 2005-06-23 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 (4 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-20120065219-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE NR3C2, REN, GNE IDO1 2822/4885TAAR1 361/4885AOC3 818/4885
US-20080153860-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE NR3C2, REN, GNE IDO1 2970/4885TAAR1 427/4885AOC3 949/4885
US-20050137217-A1 Spirocyclic quinuclidinic ether derivatives CHRNA1, CHRNA7, CHRNA2 IDO1 2896/4885TAAR1 247/4885AOC3 1921/4885
US-20050137219-A1 Spirocyclic quinuclidinic ether derivatives CHRNA1, CHRNA7, CHRNA2 IDO1 2896/4885TAAR1 247/4885AOC3 1921/4885

“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.