SCHEMBL21795303

SCHEMBL21795303

CN1CCC(NC(=O)[C@H]2CN(c3ccc(C#N)c4nccnc34)C[C@@H]2C(F)(F)F)CC1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.79
TLR9 Q9NR96 2/20 0.79
TLR7 Q9NYK1 2/20 0.79
SSTR4 P31391 7/20 0.41
PTK2 Q05397 7/20 0.38
AXL P30530 1/20 0.36
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
SSTR1 P30872 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL23943083 1.00 TLR8 (0.79) TLR8TLR9TLR7SSTR4PTK2
SCHEMBL30382225 1.00 TLR8 (0.79) TLR8TLR9TLR7SSTR4PTK2
SCHEMBL21776654 0.91 TLR8 (0.65) TLR8TLR9TLR7SSTR4SSTR1
SCHEMBL23943040 0.91 TLR8 (0.65) TLR8TLR9TLR7SSTR4SSTR1
SCHEMBL21795319 0.91 TLR8 (0.65) TLR8TLR9TLR7SSTR4SSTR1
SCHEMBL23942909 0.91 TLR8 (0.65) TLR8TLR9TLR7SSTR4SSTR1
SCHEMBL21795282 0.91 TLR8 (0.65) TLR8TLR9TLR7SSTR4SSTR1
SCHEMBL21795280 0.88 TLR9 (1.00) TLR8TLR9TLR7SSTR4PTK2
SCHEMBL21795281 0.88 TLR9 (1.00) TLR8TLR9TLR7SSTR4PTK2
SCHEMBL23942908 0.87 TLR7 (0.59) TLR8TLR9TLR7SSTR4SSTR1

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 7 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 claimed
CN-112638901-A Novel pyrrolidinylamide compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-04-09 CN claimed
EP-3844159-B1 NOVEL PYRROLIDINYL AMIDE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-05-03 EP disclosed
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
CN-112638901-A Novel pyrrolidinylamide compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-04-09 CN 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 TLR8 1386/4885TLR9 583/4885TLR7 366/4885

“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.