SCHEMBL23628756

SCHEMBL23628756

N#Cc1ccc(N2CC(CN3CCC4(CC3)CNCCO4)C3(CC3)C2)c2nccnc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.43
SLC6A4 P31645 17/20 0.43
SLC6A3 Q01959 17/20 0.43
TLR9 Q9NR96 2/20 0.39
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
KDR P35968 1/20 0.33
SYK P43405 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL23628874 0.86 TLR9 (0.37) SLC6A4TLR9TLR8TLR7KDR
SCHEMBL23628839 0.86 TLR9 (0.33) SLC6A2SLC6A4SLC6A3TLR9TLR8
SCHEMBL23628801 0.85 CYP3A4 (0.43) TLR9TLR8TLR7SYK
SCHEMBL23628807 0.84 USP2 (0.38) TLR9TLR8TLR7KDRSYK
SCHEMBL23628736 0.83 CYP3A4 (0.45) SLC6A2SLC6A4SLC6A3TLR9TLR8
SCHEMBL23628837 0.83 USP2 (0.36) TLR9TLR8TLR7KCNH2
SCHEMBL23628803 0.82 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3TLR9TLR8
SCHEMBL23628770 0.82 CYP3A4 (0.38) TLR9TLR8TLR7KDRSYK
SCHEMBL23760676 0.81 TLR8 (0.36) TLR9TLR8TLR7
SCHEMBL23628873 0.81 TLR9 (0.41) TLR9TLR8TLR7

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 5 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 claimed
EP-3847165-A1 NOVEL PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-14 EP claimed
US-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-08-19 US disclosed
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 SLC6A2 2686/4885SLC6A4 3218/4885SLC6A3 1990/4885

“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.