SCHEMBL21962290

SCHEMBL21962290

Cc1c(C2CC2)cc2c(c1[N+](=O)[O-])CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSP90AA1 P07900 1/20 0.33
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.32
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL21962247 0.82 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21729546 0.82 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28591020 0.78 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21729436 0.77 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21646772 0.75 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21962348 0.74 UGT2B17 (0.32) GRIN1GRIN2AALDH1A1HTTMAPT
SCHEMBL23674402 0.73 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21738940 0.73 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30042107 0.73 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21722756 0.72 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-3880659-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 EP disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
EP-3880659-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
CN-113286784-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-08-20 CN disclosed
WO-2020102576-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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 GRIN2D 3937/4885GRIN3B 2779/4885GRIN1 1435/4885

“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.