SCHEMBL22019725

SCHEMBL22019725

CCc1c2c(nc(C3CC3)c1C1CC1)CCC2

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
NLRP3 Q96P20 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPK1 P28482 2/20 0.32
ACHE P22303 1/20 0.32
BPTF Q12830 1/20 0.32
EEF2K O00418 1/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CRHR1 P34998 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
SCHEMBL24978158 0.87 GAA (0.38) CYP1A2GAAKDM4EMAPTMEN1
SCHEMBL24978510 0.84 MEN1 (0.37) CYP1A2GAAKDM4EMAPTMEN1
SCHEMBL22019776 0.81 KDM4E (0.33) CYP1A2GAAKDM4EMAPTMEN1
SCHEMBL24979083 0.79 ACHE (0.46) CYP1A2KDM4EMEN1KMT2AMAPK1
SCHEMBL30162178 0.79 ACHE (0.46) CYP1A2KDM4EMEN1KMT2AMAPK1
SCHEMBL22020067 0.78 KDM4E (0.36) CYP1A2KDM4ENLRP3MEN1KMT2A
SCHEMBL24977971 0.77 CYP1A2 (0.31) CYP1A2GAAKDM4EMAPTMAPK1
SCHEMBL22020006 0.77 TSHR (0.34) CYP1A2GAAKDM4EMAPTMEN1
SCHEMBL21962951 0.75 ACHE (0.52) CYP1A2KDM4ENLRP3MEN1KMT2A
SCHEMBL22020517 0.74 ACHE (0.48) CYP1A2GAAKDM4EMAPTMEN1

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 1444/4885KDM4E 4525/4885

“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.