SCHEMBL30834003

SCHEMBL30834003

CN1CCC[C@@H](Nc2cc(C3CCC3)c(Cl)nn2)C1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IL1B P01584 11/20 0.52
NLRP3 Q96P20 8/20 0.50
KAT2B Q92831 6/20 0.44
BPTF Q12830 1/20 0.44

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
SCHEMBL25255553 0.96 IL1B (0.53) IL1BNLRP3KAT2BBPTF
SCHEMBL25303027 0.96 IL1B (0.53) IL1BNLRP3KAT2BBPTF
SCHEMBL22655048 0.84 IL1B (0.65) IL1BNLRP3KAT2BBPTF
SCHEMBL22655051 0.84 IL1B (0.65) IL1BNLRP3KAT2BBPTF
SCHEMBL31021469 0.81 NLRP3 (0.48) IL1BNLRP3KAT2B
SCHEMBL30833935 0.80 IL1B (0.52) IL1BNLRP3KAT2BBPTF
SCHEMBL22654864 0.79 IL1B (0.66) IL1BNLRP3
SCHEMBL22654862 0.79 IL1B (0.66) IL1BNLRP3
SCHEMBL30833919 0.79 IL1B (0.51) IL1BNLRP3KAT2BBPTF
SCHEMBL30833921 0.79 IL1B (0.51) IL1BNLRP3KAT2BBPTF

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 2 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
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