SCHEMBL30834002

SCHEMBL30834002

CCOCOc1cc(C=O)ccc1-c1nnc(N[C@@H]2CCCN(C3CC3)C2)nc1C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.38
CCNK O75909 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
CHRM1 P11229 2/20 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
SCHEMBL30488549 0.91 NLRP3 (0.40) NLRP3
SCHEMBL25301931 0.91 NLRP3 (0.40) NLRP3
SCHEMBL25256463 0.91 NLRP3 (0.40) NLRP3
SCHEMBL30833904 0.87 NLRP3 (0.38) NLRP3CCNKCDK7CCNHMNAT1
SCHEMBL30893679 0.85 BTK (0.41) NLRP3
SCHEMBL30834038 0.85 BTK (0.41) NLRP3
SCHEMBL25862360 0.85 BTK (0.41) NLRP3
SCHEMBL25303600 0.81 NLRP3 (0.38) NLRP3CCNKCDK7CCNHMNAT1
SCHEMBL25303599 0.81 NLRP3 (0.38) NLRP3CCNKCDK7CCNHMNAT1
SCHEMBL30488514 0.81 NLRP3 (0.38) NLRP3CCNKCDK7CCNHMNAT1

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