SCHEMBL22019952

SCHEMBL22019952

CCCc1cc(N)c2c(n1)CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
ACHE P22303 10/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.40
BPTF Q12830 1/20 0.40
CYP2C19 P33261 1/20 0.40
BACE1 P56817 1/20 0.39
GRIN1 Q05586 7/20 0.39
GRIN2A Q12879 7/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39

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
SCHEMBL22020022 0.86 NOS3 (0.44) NOS3NOS1NOS2ACHEMEN1
SCHEMBL28621969 0.77 MEN1 (0.41) NOS3NOS1NOS2ACHEMEN1
SCHEMBL21963370 0.75 ACHE (0.39) NOS3NOS1NOS2ACHEMEN1
SCHEMBL30162186 0.75 ACHE (0.39) NOS3NOS1NOS2ACHEMEN1
SCHEMBL21963078 0.73 NOS3 (0.53) NOS3NOS1NOS2ACHEMEN1
SCHEMBL31475655 0.73 NOS3 (0.53) NOS3NOS1NOS2ACHEMEN1
SCHEMBL22019943 0.71 NOS3 (0.43) NOS3NOS1NOS2ACHEMEN1
SCHEMBL24978430 0.69 CYP2C19 (0.48) NOS3NOS1NOS2ACHEMEN1
SCHEMBL21962912 0.69 ACHE (0.42) NOS3NOS1NOS2ACHEMEN1
SCHEMBL22020688 0.69 NOS3 (0.44) NOS3NOS1NOS2ACHEMEN1

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 3 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
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 NOS3 1437/4885NOS1 1263/4885NOS2 1206/4885

“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.