SCHEMBL4484044

SCHEMBL4484044

COc1ccc2nccc(N3CCC4(CC3)C[C@H](NC(=O)O)[C@@H](O)C4)c2n1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP8B1 Q9UNU6 1/20 0.40
KCNH2 Q12809 6/20 0.38
SLC2A1 P11166 3/20 0.35
FFAR4 Q5NUL3 2/20 0.34

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
SCHEMBL4484037 1.00 CYP8B1 (0.40) CYP8B1KCNH2SLC2A1FFAR4
SCHEMBL13708412 0.90 CYP8B1 (0.40) CYP8B1KCNH2SLC2A1
SCHEMBL4483307 0.83 SLC2A1 (0.39) KCNH2SLC2A1FFAR4
SCHEMBL4483313 0.83 SLC2A1 (0.39) KCNH2SLC2A1FFAR4
SCHEMBL4481543 0.83 CYP8B1 (0.38) CYP8B1KCNH2
SCHEMBL5905772 0.80 CYP8B1 (0.49) CYP8B1KCNH2SLC2A1
SCHEMBL4467615 0.78 KCNH2 (0.43) KCNH2
SCHEMBL4464919 0.78 KCNH2 (0.52) KCNH2
SCHEMBL4467618 0.78 KCNH2 (0.43) KCNH2
SCHEMBL4464915 0.78 KCNH2 (0.52) KCNH2

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 CYP8B1 38/4885KCNH2 4257/4885SLC2A1 4854/4885

“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.