SCHEMBL22020309

SCHEMBL22020309

CCc1c(C)nc2c(c1NC(=O)OCC(Cl)(Cl)Cl)CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
NLRP3 Q96P20 2/20 0.40
USP2 O75604 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 8/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL30162318 0.86 GAA (0.41) CYP1A2GAAMAPTKDM4ENLRP3
SCHEMBL22021200 0.86 GAA (0.41) CYP1A2GAAMAPTKDM4ENLRP3
SCHEMBL22019953 0.85 USP2 (0.50) CYP1A2GAAMAPTKDM4ENLRP3
SCHEMBL22021170 0.85 CYP1A2 (0.40) CYP1A2GAAMAPTKDM4ENLRP3
SCHEMBL30162254 0.84 NPSR1 (0.43) CYP1A2GAAMAPTKDM4ENLRP3
SCHEMBL22020316 0.84 NPSR1 (0.43) CYP1A2GAAMAPTKDM4ENLRP3
SCHEMBL22020741 0.84 GAA (0.39) CYP1A2GAAMAPTKDM4ENLRP3
SCHEMBL22021218 0.83 GAA (0.40) CYP1A2GAAMAPTKDM4ENLRP3
SCHEMBL30162234 0.83 GAA (0.40) CYP1A2GAAMAPTKDM4ENLRP3
SCHEMBL22021202 0.83 USP2 (0.48) CYP1A2GAAMAPTKDM4ENLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4667054-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2025-12-24 EP disclosed
EP-3880660-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2025-07-02 EP disclosed
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
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 CYP1A2 1790/4885GAA 1444/4885MAPT 2020/4885

“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.