SCHEMBL23760673

SCHEMBL23760673

N#Cc1ccc(N2CC(F)[C@@H](CN3CC4CNCC4C3)C2)c2nccnc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.38
TLR9 Q9NR96 3/20 0.38
TLR7 Q9NYK1 3/20 0.38
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDR P35968 1/20 0.31
SYK P43405 1/20 0.31
KCNH2 Q12809 1/20 0.31
CHRNB2 P17787 4/20 0.31
CHRNB4 P30926 4/20 0.31
CHRNA3 P32297 4/20 0.31
CHRNA4 P43681 4/20 0.31
CHRNA7 P36544 1/20 0.31
KDM1A O60341 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
SCHEMBL23628854 0.88 TLR8 (0.40) TLR8TLR9TLR7HRH2HRH1
SCHEMBL23760689 0.87 TLR8 (0.39) TLR8TLR9TLR7
SCHEMBL23760737 0.82 TLR8 (0.42) TLR8TLR9TLR7HRH2HRH1
SCHEMBL23760694 0.82 USP2 (0.38) TLR8TLR9TLR7SYK
SCHEMBL23760670 0.80 CYP2D6 (0.37) TLR8TLR9TLR7KDM1A
SCHEMBL23760743 0.79 TLR8 (0.42) TLR8TLR9TLR7HRH2HRH1
SCHEMBL23760736 0.79 TLR8 (0.40) TLR8TLR9TLR7HRH1HRH3
SCHEMBL23760664 0.79 TLR8 (0.40) TLR8TLR9TLR7KDM1A
SCHEMBL23760712 0.79 TLR8 (0.40) TLR8TLR9TLR7HRH1HRH3
SCHEMBL23628757 0.78 TLR8 (0.35) TLR8TLR9TLR7HRH2HRH1

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.