SCHEMBL21795320

SCHEMBL21795320

N[C@H]1CC[C@@H](NC(=O)C2CN(c3ccc(C(F)(F)F)c4nccnc34)CC23CC3)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
FLT3 P36888 9/20 0.35
KIT P10721 8/20 0.35
CHEK1 O14757 6/20 0.35
SMYD3 Q9H7B4 3/20 0.34
RBP4 P02753 1/20 0.34
TTR P02766 1/20 0.34
SSTR4 P31391 3/20 0.33
SSTR1 P30872 2/20 0.33
PIK3CD O00329 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
SCHEMBL21795527 1.00 TLR7 (0.37) TLR7TLR9TLR8FLT3KIT
SCHEMBL21795318 1.00 TLR7 (0.37) TLR7TLR9TLR8FLT3KIT
SCHEMBL21776764 0.92 TLR7 (0.34) TLR7TLR9TLR8RBP4TTR
SCHEMBL21795524 0.91 GAA (0.39) TLR7TLR9TLR8SSTR4SSTR1
SCHEMBL23942853 0.90 PTGES (0.36) TLR7TLR9TLR8PIK3CD
SCHEMBL21795531 0.90 PTGES (0.36) TLR7TLR9TLR8PIK3CD
SCHEMBL21795532 0.90 PTGES (0.36) TLR7TLR9TLR8PIK3CD
SCHEMBL26096621 0.90 PTGES (0.36) TLR7TLR9TLR8PIK3CD
SCHEMBL21795529 0.89 RBP4 (0.33) TLR7TLR9TLR8RBP4TTR
SCHEMBL21776656 0.89 TLR9 (0.48) TLR7TLR9TLR8SSTR4SSTR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3844159-B1 NOVEL PYRROLIDINYL AMIDE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-05-03 EP disclosed
US-20210323977-A1 PYRROLIDINYL AMIDE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-10-21 US disclosed
WO-2020043271-A1 NOVEL PYRROLIDINYL AMIDE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-05 WO 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-20210323977-A1 PYRROLIDINYL AMIDE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE ARG1, SSB, ARG2 TLR7 366/4885TLR9 583/4885TLR8 1386/4885

“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.