SCHEMBL25751207

SCHEMBL25751207

CCN1CC[C@H](O)[C@H](NC(=O)Cn2nc(C(C)C)c3cc(Br)ccc3c2=O)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 10/20 0.53
PSMB1 P20618 1/20 0.34
PSMB5 P28074 1/20 0.34
MCHR1 Q99705 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
FPR1 P21462 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
CHRNA7 P36544 1/20 0.33
HTR4 Q13639 1/20 0.32

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
SCHEMBL25746482 1.00 NLRP3 (0.53) NLRP3PSMB1PSMB5MCHR1NPSR1
SCHEMBL25746485 0.88 NLRP3 (0.55) NLRP3PSMB1PSMB5ALDH1A1RXFP1
SCHEMBL24077357 0.88 NLRP3 (0.53) NLRP3MCHR1
SCHEMBL25751191 0.85 NLRP3 (0.54) NLRP3NPSR1CHRNA7
SCHEMBL29426532 0.85 NLRP3 (0.54) NLRP3NPSR1CHRNA7
SCHEMBL24076301 0.85 NLRP3 (0.54) NLRP3NPSR1CHRNA7
SCHEMBL25746454 0.85 NLRP3 (0.54) NLRP3NPSR1CHRNA7
SCHEMBL30168561 0.84 NLRP3 (0.49) NLRP3NPSR1FPR2
SCHEMBL25746474 0.84 NLRP3 (0.49) NLRP3NPSR1FPR2
SCHEMBL25746480 0.84 NLRP3 (0.42) NLRP3MCHR1NPSR1ALDH1A1RXFP1

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-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B NLRP3 1/4885PSMB1 1295/4885PSMB5 928/4885

“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.