SCHEMBL23760733

SCHEMBL23760733

CCOC(=O)[C@@H]1CN(c2ccc(C#N)c3ncccc23)CC1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.47
CTSB P07858 2/20 0.42
TLR9 Q9NR96 6/20 0.41
TLR7 Q9NYK1 6/20 0.41
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
BRD4 O60885 1/20 0.39
ELANE P08246 4/20 0.38
MPI P34949 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HCRTR1 O43613 1/20 0.36

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
SCHEMBL23628789 1.00 TLR8 (0.47) TLR8CTSBTLR9TLR7MAPT
SCHEMBL23628786 1.00 TLR8 (0.47) TLR8CTSBTLR9TLR7MAPT
SCHEMBL23628787 1.00 TLR8 (0.47) TLR8CTSBTLR9TLR7MAPT
SCHEMBL23628834 0.82 TLR8 (0.53) TLR8TLR9TLR7ELANE
SCHEMBL23628836 0.82 TLR8 (0.53) TLR8TLR9TLR7ELANE
SCHEMBL23760730 0.82 TLR8 (0.53) TLR8TLR9TLR7ELANE
SCHEMBL23628833 0.82 TLR8 (0.53) TLR8TLR9TLR7ELANE
SCHEMBL23943036 0.81 TLR8 (0.65) TLR8TLR9TLR7
SCHEMBL21795473 0.81 TLR8 (0.65) TLR8TLR9TLR7
SCHEMBL26133185 0.81 TLR8 (0.65) TLR8TLR9TLR7

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 1800/4885CTSB 2318/4885TLR9 308/4885

“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.