SCHEMBL21795282

SCHEMBL21795282

CN1CCC(NC(=O)[C@H]2CN(c3ccc(C#N)c4ncccc34)C[C@@H]2C(F)(F)F)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.65
TLR9 Q9NR96 7/20 0.65
TLR7 Q9NYK1 7/20 0.65
SSTR4 P31391 10/20 0.45
SSTR1 P30872 2/20 0.39
ACKR3 P25106 1/20 0.38
AR P10275 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
SCHEMBL23942909 1.00 TLR8 (0.65) TLR8TLR9TLR7SSTR4SSTR1
SCHEMBL21776654 1.00 TLR8 (0.65) TLR8TLR9TLR7SSTR4SSTR1
SCHEMBL21795319 1.00 TLR8 (0.65) TLR8TLR9TLR7SSTR4SSTR1
SCHEMBL23943040 1.00 TLR8 (0.65) TLR8TLR9TLR7SSTR4SSTR1
SCHEMBL23943083 0.91 TLR8 (0.79) TLR8TLR9TLR7SSTR4SSTR1
SCHEMBL21795303 0.91 TLR8 (0.79) TLR8TLR9TLR7SSTR4SSTR1
SCHEMBL30382225 0.91 TLR8 (0.79) TLR8TLR9TLR7SSTR4SSTR1
SCHEMBL21776672 0.89 TLR8 (0.82) TLR8TLR9TLR7SSTR4ACKR3
SCHEMBL21795386 0.89 TLR8 (0.82) TLR8TLR9TLR7SSTR4ACKR3
SCHEMBL21776668 0.89 TLR8 (0.82) TLR8TLR9TLR7SSTR4ACKR3

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 6 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
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.