SCHEMBL23628764

SCHEMBL23628764

CC(C)[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H]1CN1CCC2(CCNCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 12/20 0.43
TLR7 Q9NYK1 12/20 0.43
TLR8 Q9NR97 10/20 0.42
USP2 O75604 2/20 0.34
ACVR1 Q04771 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PDE9A O76083 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
SCHEMBL23628765 1.00 TLR9 (0.43) TLR9TLR7TLR8USP2ACVR1
SCHEMBL23628762 1.00 TLR9 (0.43) TLR9TLR7TLR8USP2ACVR1
SCHEMBL23628821 0.92 TLR8 (0.42) TLR9TLR7TLR8CYP3A4CYP2D6
SCHEMBL23628825 0.92 TLR8 (0.42) TLR9TLR7TLR8CYP3A4CYP2D6
SCHEMBL23628823 0.92 TLR8 (0.42) TLR9TLR7TLR8CYP3A4CYP2D6
SCHEMBL23628827 0.92 TLR8 (0.44) TLR9TLR7TLR8USP2ACVR1
SCHEMBL23628830 0.92 TLR8 (0.44) TLR9TLR7TLR8USP2ACVR1
SCHEMBL23628826 0.92 TLR8 (0.44) TLR9TLR7TLR8USP2ACVR1
SCHEMBL23628775 0.89 TLR9 (0.45) TLR9TLR7TLR8USP2ACVR1
SCHEMBL23628777 0.89 TLR9 (0.45) TLR9TLR7TLR8USP2ACVR1

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 4 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
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 TLR9 308/4885TLR7 229/4885TLR8 1800/4885

“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.