SCHEMBL30833986

SCHEMBL30833986

[2H]C([2H])([2H])N1CCC[C@@H](Nc2cc(C)c(-c3ccc(C#C)cc3OCOCC)nn2)C1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 13/20 0.48
IL1B P01584 9/20 0.48

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
SCHEMBL25257343 0.94 IL1B (0.54) NLRP3IL1B
SCHEMBL25296235 0.94 IL1B (0.54) NLRP3IL1B
SCHEMBL31681911 0.91 NLRP3 (0.41) NLRP3IL1B
SCHEMBL30834007 0.89 NLRP3 (0.62) NLRP3IL1B
SCHEMBL30833882 0.87 NLRP3 (0.38) NLRP3IL1B
SCHEMBL25263725 0.86 NLRP3 (0.55) NLRP3IL1B
SCHEMBL25302189 0.86 NLRP3 (0.55) NLRP3IL1B
SCHEMBL25256129 0.86 NLRP3 (0.57) NLRP3IL1B
SCHEMBL25304328 0.86 NLRP3 (0.57) NLRP3IL1B
SCHEMBL25299192 0.85 IL1B (0.54) 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