SCHEMBL21795285

SCHEMBL21795285

O=C(NC1C2CCC1CNC2)C1CN(c2ccc(C(F)(F)F)c3nccnc23)CC12CC2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 5/20 0.32
SSTR1 P30872 3/20 0.32
JAK2 O60674 8/20 0.32
JAK1 P23458 8/20 0.32
JAK3 P52333 8/20 0.32
TYK2 P29597 7/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CHRNA4 P43681 1/20 0.32
TLR7 Q9NYK1 2/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
RBP4 P02753 1/20 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
SCHEMBL21795454 0.97 JAK2 (0.32) SSTR4SSTR1JAK2JAK1JAK3
SCHEMBL23943042 0.93 CHRNA4 (0.32) SSTR4SSTR1HCRTR1HCRTR2CHRNA4
SCHEMBL21795288 0.90 RBP4 (0.33) SSTR4SSTR1JAK2JAK1HCRTR1
SCHEMBL21795480 0.89 SSTR4 (0.32) SSTR4SSTR1HCRTR1HCRTR2CHRNA4
SCHEMBL21795286 0.85 TLR7 (0.32) SSTR4SSTR1TLR7TLR9TLR8
SCHEMBL21795524 0.84 GAA (0.39) SSTR4SSTR1JAK2JAK1TLR7
SCHEMBL21776744 0.82 TLR7 (0.34) SSTR4SSTR1JAK2JAK1JAK3
SCHEMBL21776656 0.82 TLR9 (0.48) SSTR4SSTR1CHRNA4TLR7TLR9
SCHEMBL21795320 0.82 TLR7 (0.37) SSTR4SSTR1TLR7TLR9TLR8
SCHEMBL21795527 0.82 TLR7 (0.37) SSTR4SSTR1TLR7TLR9TLR8

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 SSTR4 277/4885SSTR1 146/4885JAK2 50/4885

“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.