SCHEMBL29348105

SCHEMBL29348105

CN(C)c1nn(CC(=O)N[C@H]2C[C@@](C)(O)C2)c(=O)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.50
AKR1B1 P15121 5/20 0.40
MAPT P10636 1/20 0.39
CCRL2 O00421 2/20 0.38
CHRNA7 P36544 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
CCR2 P41597 1/20 0.37
GPR139 Q6DWJ6 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
SCHEMBL24077174 0.86 NLRP3 (0.45) NLRP3AKR1B1MAPT
SCHEMBL24076407 0.86 NLRP3 (0.46) NLRP3AKR1B1MAPTCHRNA7GRIN1
SCHEMBL24077362 0.86 NLRP3 (0.46) NLRP3AKR1B1MAPTCCRL2CHRNA7
SCHEMBL29348119 0.86 NLRP3 (0.52) NLRP3AKR1B1CHRNA7
SCHEMBL29348114 0.86 NLRP3 (0.52) NLRP3CHRNA7
SCHEMBL24077192 0.85 NLRP3 (0.59) NLRP3AKR1B1MAPTCHRNA7GRIN1
SCHEMBL24077175 0.85 CHRNA7 (0.48) NLRP3AKR1B1MAPTCCRL2CHRNA7
SCHEMBL24077359 0.85 NLRP3 (0.59) NLRP3AKR1B1MAPTCHRNA7GRIN1
SCHEMBL24076428 0.85 NLRP3 (0.50) NLRP3AKR1B1MAPTCCRL2CHRNA7
SCHEMBL24077262 0.85 NLRP3 (0.51) NLRP3AKR1B1MAPTCCRL2GRIN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239757-A1 PHTHALAZINONE DERIVATES AS NLRP3 INFLAMMASOME INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US 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-20240239757-A1 PHTHALAZINONE DERIVATES AS NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, PYCARD NLRP3 1/4885AKR1B1 320/4885MAPT 162/4885

“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.