SCHEMBL23628828

SCHEMBL23628828

N#Cc1ccc(N2C[C@H](CN3CCC4(CCNC4)C3)[C@@H](C(F)(F)F)C2)c2nccnc12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.37
CYP3A4 P08684 4/20 0.36
CYP1A2 P05177 2/20 0.36
TLR9 Q9NR96 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
RET P07949 5/20 0.34
CYP2D6 P10635 3/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
TSHR P16473 2/20 0.32
SYK P43405 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 2/20 0.31
HPGD P15428 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL23760663 1.00 TLR8 (0.37) TLR8CYP3A4CYP1A2TLR9TLR7
SCHEMBL23628810 0.95 TLR8 (0.38) TLR8CYP3A4CYP1A2TLR9TLR7
SCHEMBL23760718 0.95 TLR8 (0.38) TLR8CYP3A4CYP1A2TLR9TLR7
SCHEMBL23628870 0.95 TLR8 (0.36) TLR8CYP3A4CYP1A2TLR9TLR7
SCHEMBL23628817 0.91 TLR8 (0.37) TLR8CYP3A4TLR9TLR7RET
SCHEMBL23628771 0.91 TLR8 (0.38) TLR8CYP1A2TLR9TLR7CYP2D6
SCHEMBL23760740 0.91 TLR8 (0.38) TLR8CYP1A2TLR9TLR7CYP2D6
SCHEMBL23760739 0.90 TLR8 (0.50) TLR8CYP3A4CYP1A2TLR9TLR7
SCHEMBL23760731 0.90 CYP3A4 (0.38) TLR8CYP3A4CYP1A2TLR9TLR7
SCHEMBL23628755 0.90 CYP3A4 (0.38) TLR8CYP3A4CYP1A2TLR9TLR7

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 TLR8 1800/4885CYP3A4 3575/4885CYP1A2 2291/4885

“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.