SCHEMBL13708409

SCHEMBL13708409

CC(C)(C)OC(=O)N[C@H]1CC2(CCNCC2)C[C@H]1O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
EPHX2 P34913 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KDM1A O60341 2/20 0.34
BTK Q06187 1/20 0.34
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSK P43235 2/20 0.32
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
RORC P51449 2/20 0.31

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
SCHEMBL13708411 0.86 BTK (0.38) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL8325385 0.82 BTK (0.43) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL4459547 0.79 KDM1A (0.35) KDM1AKMT2AMAOB
SCHEMBL21621878 0.76 NFKB1 (0.40) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL21621879 0.76 NFKB1 (0.40) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL16670482 0.74 BTK (0.41) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL2180252 0.74 BTK (0.43) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL2490021 0.74 BTK (0.43) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL2180246 0.74 BTK (0.43) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL8319039 0.74 GAA (0.39) GAAEPHX2NFKB1NFKB2RELA

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-7592334-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2009-09-22 US disclosed
US-20080139540-A1 6-[({3-hydroxy-8-[6-(methyloxy)-1,5-naphthyridin-4-yl]-8-azaspiro[4.5]dec-2-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]thiazin-3-on; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli GLAXO GROUP LIMITED (GB) 2008-06-12 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-20080139540-A1 6-[({3-hydroxy-8-[6-(methyloxy)-1,5-naphthyridin-4-yl]-8-azaspiro[4.5]dec-2-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]thiazin-3-on; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli NT5C3B, NT5C, SPOUT1 GAA 2926/4885EPHX2 2755/4885NFKB1 906/4885

“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.