SCHEMBL5339799

SCHEMBL5339799

Cc1cc2c(nc(CC3CC3)n2CCOCCCN2CCCS2(=O)=O)c(N)n1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.33
TLR7 Q9NYK1 5/20 0.33
TLR9 Q9NR96 2/20 0.32
OPRM1 P35372 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
ADRB2 P07550 1/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR1F P30939 1/20 0.30
SLC6A4 P31645 1/20 0.30
HTR7 P34969 1/20 0.30
ADRA1B P35368 1/20 0.30
HTR5A P47898 1/20 0.30
HTR6 P50406 1/20 0.30
HTR4 Q13639 1/20 0.30

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
SCHEMBL4793790 0.91 TLR7 (0.31) TLR8TLR7TLR9OPRM1ADORA2A
SCHEMBL5339815 0.90 TLR8 (0.33) TLR8TLR7
SCHEMBL5347925 0.90 ADORA2A (0.33) TLR8TLR7TLR9OPRM1ADORA2A
SCHEMBL5333418 0.89 TLR7 (0.33) TLR8TLR7TLR9OPRM1ADORA2A
SCHEMBL4792467 0.88 TLR7 (0.38) TLR8TLR7
SCHEMBL5333615 0.88 TLR7 (0.34) TLR8TLR7TLR9OPRM1ADORA2A
SCHEMBL5335332 0.88 TLR8 (0.39) TLR8TLR7TLR9ADORA2AADORA2B
SCHEMBL4794042 0.87 ADORA2A (0.34) TLR8TLR7TLR9OPRM1ADORA2A
SCHEMBL4794416 0.83 TLR7 (0.33) TLR8TLR7
SCHEMBL4793798 0.83 NPY1R (0.31) TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220758-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-22 US disclosed
US-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2006-11-09 US disclosed
US-7125890-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-10-24 US disclosed
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors 3M INNOVATIVE PROPERTIES COMPANY 2005-02-10 US disclosed
US-6797718-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-28 US disclosed
US-20040010007-A1 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-15 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 (3 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-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES IL2, IL4, MYD88 TLR8 45/4885TLR7 33/4885TLR9 143/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP TLR8 91/4885TLR7 93/4885TLR9 160/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 TLR8 45/4885TLR7 33/4885TLR9 143/4885

“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.