SCHEMBL30833882

SCHEMBL30833882

[2H]C([2H])([2H])N1CCC[C@@H](Nc2nnc(-c3ccc(C#C)cc3OCOCC)c(C)n2)C1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 16/20 0.38
IL1B P01584 5/20 0.33

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
SCHEMBL29030501 0.94 NLRP3 (0.41) NLRP3IL1B
SCHEMBL29030496 0.94 NLRP3 (0.41) NLRP3IL1B
SCHEMBL30833993 0.91 NLRP3 (0.34) NLRP3IL1B
SCHEMBL30833888 0.89 NLRP3 (0.45) NLRP3IL1B
SCHEMBL30833904 0.88 NLRP3 (0.38) NLRP3
SCHEMBL30833986 0.87 NLRP3 (0.48) NLRP3IL1B
SCHEMBL30833891 0.86 NLRP3 (0.54) NLRP3IL1B
SCHEMBL25262126 0.86 NLRP3 (0.40) NLRP3IL1B
SCHEMBL25303206 0.86 NLRP3 (0.40) NLRP3IL1B
SCHEMBL25299201 0.85 NLRP3 (0.40) NLRP3IL1B

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-4613749-A1 NLRP3 INFLAMMASOME INHIBITOR AND USE THEREOF TransThera Sciences (Nanjing), Inc. (CN) 2025-09-10 EP disclosed
WO-2024094185-A1 NLRP3 INFLAMMASOME INHIBITOR AND USE THEREOF 药捷安康(南京)科技股份有限公司 2024-05-10 WO disclosed
CN-117986258-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2024-05-07 CN disclosed