SCHEMBL5820664

SCHEMBL5820664

CNCCN1CCC(c2ccc3c(c2)C(C)(C)C(c2ccccc2OC)N3)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 15/20 0.52
TLR7 Q9NYK1 10/20 0.51
CARM1 Q86X55 5/20 0.51
PRMT6 Q96LA8 1/20 0.47
TLR8 Q9NR97 4/20 0.46
TLR4 O00206 2/20 0.46
TLR3 O15455 2/20 0.46
DRD2 P14416 1/20 0.44

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
SCHEMBL5806705 0.70 MAPT (0.44)
SCHEMBL5821898 0.69 TLR9 (0.69) TLR9TLR7CARM1TLR8TLR4
SCHEMBL5820765 0.69 TLR9 (1.00) TLR9TLR7CARM1TLR8TLR4
SCHEMBL5818484 0.69 TLR9 (0.65) TLR9TLR7CARM1TLR8TLR4
SCHEMBL4564057 0.68 CARM1 (0.58) TLR9TLR7CARM1PRMT6TLR8
SCHEMBL5821409 0.67 TLR9 (1.00) TLR9TLR7CARM1TLR8TLR4
SCHEMBL5823090 0.67 TLR9 (0.83) TLR9TLR7CARM1TLR8TLR4
SCHEMBL5067456 0.66 TLR9 (0.53) TLR9TLR7CARM1PRMT6TLR8
SCHEMBL5820154 0.66 TLR9 (0.79) TLR9TLR7CARM1TLR8TLR4
SCHEMBL5066966 0.66 CARM1 (0.55) TLR9TLR7CARM1PRMT6DRD2

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.