SCHEMBL21795284

SCHEMBL21795284

O=C(NC1CC2COCC(C1)N2)C1CN(c2ccc(C(F)(F)F)c3nccnc23)CC12CC2

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 11/20 0.37
TLR7 Q9NYK1 2/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
SSTR4 P31391 3/20 0.31
SSTR1 P30872 2/20 0.31

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
SCHEMBL21776744 0.92 TLR7 (0.34) TLR7TLR9TLR8SSTR4SSTR1
SCHEMBL21795520 0.91 TLR7 (0.35) TLR7TLR9TLR8SSTR4SSTR1
SCHEMBL26439722 0.88 TLR7 (0.35) TLR7TLR9TLR8SSTR4SSTR1
SCHEMBL21776764 0.86 TLR7 (0.34) TLR7TLR9TLR8SSTR4SSTR1
SCHEMBL21795288 0.85 RBP4 (0.33) TLR7TLR9TLR8SSTR4SSTR1
SCHEMBL21795286 0.85 TLR7 (0.32) TLR7TLR9TLR8SSTR4SSTR1
SCHEMBL21776697 0.84 GPR119 (0.33) HTR3ATLR7TLR9TLR8SSTR4
SCHEMBL23943042 0.84 CHRNA4 (0.32) SSTR4SSTR1
SCHEMBL21795524 0.83 GAA (0.39) TLR7TLR9TLR8SSTR4SSTR1
SCHEMBL26439668 0.83

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 HTR3A 4802/4885TLR7 366/4885TLR9 583/4885

“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.