SCHEMBL22019742

SCHEMBL22019742

CCc1c2c(nc3c1CCC3C)CCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
NLRP3 Q96P20 1/20 0.36
HRH3 Q9Y5N1 7/20 0.36
HRH2 P25021 5/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ACHE P22303 1/20 0.32
BPTF Q12830 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL22020517 0.78 ACHE (0.48) CYP1A2GAAHRH3KDM4EMAPT
SCHEMBL22020826 0.78 HRH3 (0.38) NLRP3HRH3HRH2KDM4EMEN1
SCHEMBL22019718 0.78 HRH3 (0.38) NLRP3HRH3HRH2KDM4EMEN1
SCHEMBL22021272 0.78 HRH3 (0.38) NLRP3HRH3HRH2KDM4EMEN1
SCHEMBL24978158 0.77 GAA (0.38) CYP1A2GAAHRH3HRH2KDM4E
SCHEMBL21962895 0.77 ACHE (0.55) HRH3HRH2KDM4EMEN1KMT2A
SCHEMBL30162092 0.77 ACHE (0.55) HRH3HRH2KDM4EMEN1KMT2A
SCHEMBL24979122 0.77 ACHE (0.55) HRH3HRH2KDM4EMEN1KMT2A
SCHEMBL21962929 0.77 ACHE (0.55) HRH3HRH2KDM4EMEN1KMT2A
SCHEMBL30120762 0.77 ACHE (0.55) HRH3HRH2KDM4EMEN1KMT2A

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 CYP1A2 1790/4885GAA 1444/4885NLRP3 2/4885

“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.