SCHEMBL30108684

SCHEMBL30108684

N#Cc1ccc(-c2nnc(N[C@@H]3CCCN(CC4CC4)C3)c3c2CCCC3)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 12/20 0.61
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
IL1B P01584 4/20 0.41
ROCK2 O75116 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL28934595 1.00 NLRP3 (0.61) NLRP3DRD2DRD3KDM2BIL1B
SCHEMBL28934589 1.00 NLRP3 (0.61) NLRP3DRD2DRD3KDM2BIL1B
SCHEMBL25864235 0.91 NLRP3 (0.49) NLRP3IL1BROCK2
SCHEMBL28934462 0.87 NLRP3 (0.67) NLRP3IL1B
SCHEMBL28934456 0.87 NLRP3 (0.67) NLRP3IL1B
SCHEMBL30108739 0.87 NLRP3 (0.67) NLRP3IL1B
SCHEMBL30108711 0.85 NLRP3 (0.65) NLRP3IL1B
SCHEMBL28934522 0.85 NLRP3 (0.65) NLRP3IL1B
SCHEMBL28934515 0.85 NLRP3 (0.65) NLRP3IL1B
SCHEMBL28934774 0.85 NLRP3 (0.64) NLRP3IL1BIRAK4

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
US-20240294542-A1 NLRP3 INFLAMMASOME INHIBITOR AND APPLICATION THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2024-09-05 US disclosed
CN-115433163-A NLRP3 inflammasome inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2022-12-06 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240294542-A1 NLRP3 INFLAMMASOME INHIBITOR AND APPLICATION THEREOF NLRP3, NLRP1, PYCARD NLRP3 1/4885DRD2 4865/4885DRD3 4825/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.