SCHEMBL5109569

SCHEMBL5109569

CN(C)C(=O)c1cccc(-c2ccc(-c3nnc(C4CN5CCC4CC5)o3)o2)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.61
USP30 Q70CQ3 1/20 0.42
TLR9 Q9NR96 3/20 0.41
TLR8 Q9NR97 3/20 0.41
TLR7 Q9NYK1 3/20 0.41
HRH3 Q9Y5N1 1/20 0.38
KEAP1 Q14145 4/20 0.38
NFE2L2 Q16236 4/20 0.38
FYN P06241 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ADORA2A P29274 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
SCHEMBL14192603 0.84 KCNH2 (0.45) KCNH2USP30KEAP1NFE2L2FYN
SCHEMBL5114288 0.80 KCNH2 (0.79) KCNH2TLR9TLR8TLR7
SCHEMBL5112511 0.76 KCNH2 (1.00) KCNH2TLR9TLR8TLR7
SCHEMBL5111576 0.67 KCNH2 (0.56) KCNH2TLR9TLR8TLR7
SCHEMBL7060974 0.64 ALDH1A1 (0.59)
SCHEMBL7062322 0.62 ALDH1A1 (0.60)
Oxalic Acid SCHEMBL9369813 0.62 KCNH2 (0.41) KCNH2TLR9TLR8TLR7
SCHEMBL5420773 0.61 HRH3 (0.44) USP30HRH3FYNSMN1; SMN2ADORA2A
SCHEMBL5420770 0.61 HRH3 (0.44) USP30HRH3FYNSMN1; SMN2ADORA2A
SCHEMBL5420767 0.61 HRH3 (0.44) USP30HRH3FYNSMN1; SMN2ADORA2A

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-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-01 US claimed
EP-1831212-A1 NICOTINIC ACETYCHOLINE RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-09-12 EP claimed
WO-2006065217-A1 NICOTINIC ACETYCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-06-22 WO claimed
US-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-01 US disclosed
US-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-01 US disclosed
US-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-01 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-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands CHRNG, CHRNE, CHRNA1 KCNH2 501/4885USP30 4245/4885TLR9 1064/4885

“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.