SCHEMBL23760742

SCHEMBL23760742

N#Cc1ccc(N2CC(F)[C@@H](CN3CCC(N4CCNCC4)CC3)C2)c2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.45
TLR9 Q9NR96 9/20 0.45
TLR7 Q9NYK1 9/20 0.45
HTR1A P08908 3/20 0.36
ACVR1 Q04771 2/20 0.35
KDM4E B2RXH2 1/20 0.34
RAD52 P43351 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NCF1 P14598 1/20 0.33
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
ACVR1B P36896 1/20 0.33
ACVRL1 P37023 1/20 0.33
MAPT P10636 1/20 0.32
HRH1 P35367 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL23628818 0.90 TLR8 (0.50) TLR8TLR9TLR7HTR1AACVR1
SCHEMBL23760699 0.85 TLR8 (0.46) TLR8TLR9TLR7ACVR1HRH1
SCHEMBL16633393 0.83 TLR9 (0.48) TLR8TLR9TLR7HTR1AACVR1
SCHEMBL16633390 0.83 TLR9 (0.48) TLR8TLR9TLR7HTR1AACVR1
SCHEMBL23760686 0.82 TLR8 (0.45) TLR8TLR9TLR7ACVR1
SCHEMBL23760707 0.81 TLR8 (0.51) TLR8TLR9TLR7HTR1AKDM4E
SCHEMBL23628790 0.81 TLR8 (0.51) TLR8TLR9TLR7HTR1AKDM4E
SCHEMBL23760736 0.81 TLR8 (0.40) TLR8TLR9TLR7HRH1HRH3
SCHEMBL23760712 0.81 TLR8 (0.40) TLR8TLR9TLR7HRH1HRH3
SCHEMBL23760716 0.77 TLR8 (0.62) TLR8TLR9TLR7KDM4EHRH1

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.