SCHEMBL4521480

SCHEMBL4521480

N#Cc1cc(-c2nc(COC3CCNCC3)no2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
USP30 Q70CQ3 4/20 0.40
NMT1 P30419 9/20 0.39
LRRK2 Q5S007 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
Tert-Butyl Formate SCHEMBL28766881 0.90 TLR9 (0.38) ALDH1A1TLR9TLR8TLR7USP30
SCHEMBL27939043 0.89 TLR9 (0.37) ALDH1A1TLR9TLR8TLR7USP30
Formic Acid Phenyl Ester SCHEMBL27657419 0.89 MAOB (0.39) ALDH1A1TLR9TLR8TLR7NMT1
SCHEMBL5133256 0.82 USP30 (0.41) ALDH1A1USP30KCNH2
SCHEMBL28766879 0.79 GPR119 (0.39) ALDH1A1USP30
SCHEMBL386184 0.78 GPR119 (0.54) USP30
SCHEMBL389149 0.78 CETP (0.44) TLR9TLR8TLR7USP30
SCHEMBL27657417 0.78 USP30 (0.38) ALDH1A1USP30LRRK2
SCHEMBL391788 0.78 CETP (0.44) USP30
SCHEMBL5133750 0.77 NMT1 (0.36) NMT1SLC6A2SLC6A4SLC6A3KCNH2

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-8207147-B2 Heterocyclic derivatives as GPCR receptor agonists PROSIDION LIMITED (GB) 2012-06-26 US disclosed
US-8207147-B2 Heterocyclic derivatives as GPCR receptor agonists PROSIDION LIMITED (GB) 2012-06-26 US disclosed
US-8207147-B2 Heterocyclic derivatives as GPCR receptor agonists PROSIDION LIMITED (GB) 2012-06-26 US disclosed
US-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-11-12 US disclosed
US-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-11-12 US disclosed
US-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-11-12 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-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS GPR119, GCGR, GLP1R ALDH1A1 1770/4885TLR9 960/4885TLR8 883/4885

“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.