SCHEMBL23628600

SCHEMBL23628600

C[C@@H]1CN(OC(=O)C(F)(F)F)C[C@H](C(=O)NC2CCN(C)CC2)O1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
SSTR4 P31391 13/20 0.33
SSTR1 P30872 3/20 0.32
SLC6A5 Q9Y345 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
P2RX4 Q99571 1/20 0.31
EPHX1 P07099 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL1609203 0.73 PIK3CD (0.39)
Trifluoroacetic Acid SCHEMBL23628598 0.72 TLR9 (0.39) TLR9TLR8TLR7SSTR4SSTR1
SCHEMBL23628617 0.69 TLR9 (0.41) TLR9TLR8TLR7P2RX4
SCHEMBL1609526 0.68 EPHX2 (0.39)
SCHEMBL2146182 0.66 EPHX2 (0.45)
SCHEMBL1437590 0.66 EPHX2 (0.49)
SCHEMBL2018904 0.65 ALDH1A1 (0.43)
SCHEMBL1591846 0.65 ALDH1A1 (0.35)
SCHEMBL10264869 0.65 SSTR4 (0.48) SSTR4SSTR1
SCHEMBL3925360 0.65 PDK1 (0.36)

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
US-12252484-B2 Pyrazolopyridine compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2025-03-18 US disclosed
EP-3847173-B1 NOVEL PYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-04-12 EP disclosed
US-20210355122-A1 PYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-11-18 US disclosed
EP-3847173-A1 NOVEL PYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-14 EP 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-20210355122-A1 PYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE KCNJ1, KCNJ11, SSB TLR9 2037/4885TLR8 3207/4885TLR7 1106/4885
US-12252484-B2 Pyrazolopyridine compounds for the treatment of autoimmune disease KCNJ1, KCNJ11, SSB TLR9 2037/4885TLR8 3207/4885TLR7 1106/4885

“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.