SCHEMBL23760711

SCHEMBL23760711

N#Cc1ccc(N2CC(C(F)(F)F)[C@@H](CN3CCC(N4CCCC4)CC3)C2)c2nccnc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
HRH3 Q9Y5N1 9/20 0.33
KCNH2 Q12809 2/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
SLC6A4 P31645 2/20 0.32
HTR1A P08908 1/20 0.31
HRH1 P35367 1/20 0.31
JAK2 O60674 1/20 0.31
TYK2 P29597 1/20 0.31
CTSK P43235 2/20 0.31
GPR4 P46093 1/20 0.30

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
SCHEMBL23628740 1.00 TLR8 (0.39) TLR8TLR9TLR7HRH3KCNH2
SCHEMBL23628831 0.99 TLR8 (0.39) TLR8TLR9TLR7HRH3KCNH2
SCHEMBL23628858 0.99 TLR8 (0.39) TLR8TLR9TLR7HRH3KCNH2
SCHEMBL23760735 0.99 TLR8 (0.39) TLR8TLR9TLR7HRH3KCNH2
SCHEMBL23760707 0.89 TLR8 (0.51) TLR8TLR9TLR7HRH3PDCD1
SCHEMBL23628790 0.89 TLR8 (0.51) TLR8TLR9TLR7HRH3PDCD1
SCHEMBL23760736 0.88 TLR8 (0.40) TLR8TLR9TLR7HRH3KCNH2
SCHEMBL23760712 0.88 TLR8 (0.40) TLR8TLR9TLR7HRH3KCNH2
SCHEMBL23628730 0.88 TLR8 (0.46) TLR8TLR9TLR7HRH3HRH1
SCHEMBL23628878 0.86 TLR8 (0.41) TLR8TLR9TLR7

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 1 patent. 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

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.