SCHEMBL21795474

SCHEMBL21795474

CC[C@H]1CCN(c2ccc(C#N)c3ncccc23)C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.52
TLR9 Q9NR96 6/20 0.48
TLR7 Q9NYK1 6/20 0.48
AR P10275 2/20 0.41
ELANE P08246 4/20 0.39
CTSB P07858 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HTR1A P08908 2/20 0.37
HTR2C P28335 2/20 0.37
HTR7 P34969 2/20 0.37
HTR4 Q13639 2/20 0.37
RPS6KB1 P23443 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
HTR3A P46098 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL21795290 0.85 TLR8 (0.54) TLR8TLR9TLR7ARELANE
SCHEMBL21795300 0.84 TLR8 (0.52) TLR8TLR9TLR7ARELANE
SCHEMBL18980105 0.84 TLR8 (0.53) TLR8TLR9TLR7ARELANE
SCHEMBL21795382 0.82 TLR8 (0.54) TLR8TLR9TLR7ARELANE
SCHEMBL21795311 0.82 TLR8 (0.54) TLR8TLR9TLR7ARELANE
SCHEMBL16632968 0.81 TLR8 (0.49) TLR8TLR9TLR7ARHRH1
SCHEMBL16633375 0.81 TLR8 (0.55) TLR8TLR9TLR7ARELANE
SCHEMBL19957396 0.81 TLR8 (0.53) TLR8TLR9TLR7ARCTSB
SCHEMBL21795533 0.81 TLR8 (0.53) TLR8TLR9TLR7ARELANE
SCHEMBL23943030 0.80 TLR8 (0.72) TLR8TLR9TLR7ARELANE

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
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
US-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-08-19 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 (2 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 1800/4885TLR9 308/4885TLR7 229/4885
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.