SCHEMBL30833993

SCHEMBL30833993

[2H]C([2H])([2H])N1CCC[C@@H](Nc2nnc(-c3ccc(C#C)cc3OCOCC)c(C3CC3)n2)C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 12/20 0.34
IL1B P01584 6/20 0.31
CCNT1 O60563 2/20 0.31
CCNK O75909 2/20 0.31
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31
CDK9 P50750 2/20 0.31
CDK12 Q9NYV4 2/20 0.31
EGLN2 Q96KS0 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
SCHEMBL25302031 0.95 NLRP3 (0.38) NLRP3IL1BCCNT1CCNKCCNE1
SCHEMBL30488522 0.95 NLRP3 (0.38) NLRP3IL1BCCNT1CCNKCCNE1
SCHEMBL25257590 0.95 NLRP3 (0.38) NLRP3IL1BCCNT1CCNKCCNE1
SCHEMBL30833882 0.91 NLRP3 (0.38) NLRP3IL1B
SCHEMBL30833878 0.89 NLRP3 (0.42) NLRP3CCNT1CCNKCCNE1CDK2
SCHEMBL30833913 0.89 CCNK (0.34) NLRP3CCNT1CCNKCCNE1CDK2
SCHEMBL30833911 0.87 NLRP3 (0.33) NLRP3IL1BCCNT1CCNKCCNE1
SCHEMBL30834010 0.87 NLRP3 (0.44) NLRP3IL1BCCNT1CCNKCCNE1
SCHEMBL31681911 0.85 NLRP3 (0.41) NLRP3IL1BEGLN2
SCHEMBL29030501 0.85 NLRP3 (0.41) 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