SCHEMBL23628875

SCHEMBL23628875

CC[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H]1COS(=O)(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.52
TLR9 Q9NR96 9/20 0.40
TLR7 Q9NYK1 9/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.33
ELANE P08246 1/20 0.33
SCN9A Q15858 2/20 0.33
SCN5A Q14524 1/20 0.33
HRH1 P35367 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
RPS6KB1 P23443 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32

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
SCHEMBL23628877 1.00 TLR8 (0.52) TLR8TLR9TLR7PTGDR2ELANE
SCHEMBL23628876 1.00 TLR8 (0.52) TLR8TLR9TLR7PTGDR2ELANE
SCHEMBL16633299 0.83 TLR8 (0.50) TLR8TLR9TLR7SCN9ASCN5A
SCHEMBL24404854 0.83 TLR8 (0.50) TLR8TLR9TLR7SCN9ASCN5A
SCHEMBL23628833 0.80 TLR8 (0.53) TLR8TLR9TLR7ELANEHRH1
SCHEMBL23760730 0.80 TLR8 (0.53) TLR8TLR9TLR7ELANEHRH1
SCHEMBL23628834 0.80 TLR8 (0.53) TLR8TLR9TLR7ELANEHRH1
SCHEMBL23628836 0.80 TLR8 (0.53) TLR8TLR9TLR7ELANEHRH1
SCHEMBL23628824 0.80 TLR8 (0.41) TLR8TLR9TLR7SCN9ASCN5A
SCHEMBL28565092 0.78 TLR8 (0.55) TLR8TLR9TLR7RPS6KB1SLC40A1

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
US-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-08-19 US disclosed
EP-3847165-A1 NOVEL PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-14 EP 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-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE ARG1, PRMT1, PADI1 TLR8 1800/4885TLR9 308/4885TLR7 229/4885

“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.