SCHEMBL5820154

SCHEMBL5820154

CNCCN1CCC(c2ccc3[nH]c(-c4ccccc4OC)c(C#N)c3c2)CC1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 19/20 0.79
TLR7 Q9NYK1 11/20 0.77
CARM1 Q86X55 2/20 0.77
TLR8 Q9NR97 4/20 0.62
TLR4 O00206 2/20 0.61
TLR3 O15455 2/20 0.61

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
SCHEMBL5820765 0.88 TLR9 (1.00) TLR9TLR7CARM1TLR8TLR4
SCHEMBL5821409 0.87 TLR9 (1.00) TLR9TLR7CARM1TLR8TLR4
SCHEMBL5823090 0.87 TLR9 (0.83) TLR9TLR7CARM1TLR8TLR4
SCHEMBL19850069 0.86 TLR9 (1.00) TLR9TLR7CARM1TLR8TLR4
SCHEMBL29556087 0.86 TLR9 (1.00) TLR9TLR7CARM1TLR8TLR4
Trifluoroacetic Acid SCHEMBL19838744 0.80 TLR9 (0.85) TLR9TLR7CARM1TLR8TLR4
SCHEMBL5816642 0.79 TLR9 (0.85) TLR9TLR7CARM1TLR8TLR4
SCHEMBL5821898 0.78 TLR9 (0.69) TLR9TLR7CARM1TLR8TLR4
SCHEMBL19951893 0.77 TLR9 (1.00) TLR9TLR7CARM1TLR8TLR4
SCHEMBL19839195 0.76 TLR9 (1.00) TLR9TLR7TLR8TLR4TLR3

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
WO-2006113458-A1 HETEROCYCLIC INHIBITORS OF PROTEIN ARGININE METHYL TRANSFERASES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-26 WO disclosed
US-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases BRISTOL-MYERS SQUIBB COMPANY 2006-10-19 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-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases PRMT1, PRMT3, PRMT8 TLR9 2751/4885TLR7 2861/4885CARM1 18/4885

“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.