SCHEMBL22021144

SCHEMBL22021144

C[C@@H]1CCc2c1nc1c(c2NC(N)=O)CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.48
GAA P10253 3/20 0.44
CYP1A2 P05177 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
USP2 O75604 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
HRH2 P25021 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL22021099 1.00 NLRP3 (0.48) NLRP3GAACYP1A2NPSR1USP2
SCHEMBL25834605 0.88 NLRP3 (0.45) NLRP3GAACYP1A2NPSR1USP2
SCHEMBL22265280 0.87 NLRP3 (0.48) NLRP3GAACYP1A2NPSR1USP2
SCHEMBL21963400 0.87 NLRP3 (0.48) NLRP3GAACYP1A2NPSR1USP2
SCHEMBL22020797 0.87 NLRP3 (0.48) NLRP3GAACYP1A2NPSR1USP2
SCHEMBL24978041 0.83 NLRP3 (0.52) NLRP3GAACYP1A2NPSR1USP2
SCHEMBL25823041 0.80 NLRP3 (0.46) NLRP3GAACYP1A2NPSR1USP2
SCHEMBL22019806 0.80 GAA (0.59) GAACYP1A2NPSR1USP2KDM4E
SCHEMBL22020311 0.80 NLRP3 (0.48) NLRP3GAACYP1A2NPSR1USP2
SCHEMBL30120777 0.80 NLRP3 (0.48) NLRP3GAACYP1A2NPSR1USP2

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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885GAA 1444/4885CYP1A2 1790/4885

“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.