SCHEMBL11779130

SCHEMBL11779130

Cc1ccc2c(c1N)CCC2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
DRD4 P21917 1/20 0.41
POLB P06746 3/20 0.39
CES1 P23141 2/20 0.37
PARP1 P09874 1/20 0.36
BCHE P06276 5/20 0.35
ACHE P22303 5/20 0.35
GRIN1 Q05586 4/20 0.35
GRIN2A Q12879 4/20 0.35
CD44 P16070 1/20 0.34
BCL2L1 Q07817 1/20 0.34
BAD Q92934 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2C P28335 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
SCHEMBL19830022 0.95 NOS3 (0.45) NOS3NOS1NOS2DRD4POLB
SCHEMBL24428893 0.76 CES1 (0.39) NOS3NOS1NOS2DRD4POLB
SCHEMBL20112700 0.76 CES1 (0.52) NOS3NOS1NOS2DRD4CES1
SCHEMBL13091621 0.76 NOS3 (0.39) NOS3NOS1NOS2DRD4POLB
SCHEMBL29573959 0.76 NOS3 (0.39) NOS3NOS1NOS2CES1PARP1
SCHEMBL20634317 0.76 NOS3 (0.39) NOS3NOS1NOS2CES1PARP1
SCHEMBL15471189 0.76 PNMT (0.43) NOS3NOS1NOS2PARP1BCHE
SCHEMBL25242966 0.76 HTR1D (0.43) NOS3NOS1NOS2CES1PARP1
SCHEMBL31029287 0.76 HTR1D (0.43) NOS3NOS1NOS2CES1PARP1
SCHEMBL19475429 0.75 CES1 (0.37) NOS3NOS1NOS2DRD4CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617802-B2 Sulfonimidamide compounds as NLRP3 modulators GENENTECH, INC. (US) 2026-05-05 US disclosed
US-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor JAPAN TOBACCO INC. (JP) 2023-12-14 US disclosed
US-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor JAPAN TOBACCO INC. (JP) 2023-12-14 US disclosed
US-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor JAPAN TOBACCO INC. (JP) 2023-12-14 US disclosed
US-20230159555-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS GENENTECH, INC. (US) 2023-05-25 US disclosed
US-20230159555-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS GENENTECH, INC. (US) 2023-05-25 US disclosed
US-20230159555-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS GENENTECH, INC. (US) 2023-05-25 US disclosed
CN-115461120-A Sulfonylimide compounds as NLRP3 modulators 豪夫迈·罗氏有限公司 2022-12-09 CN disclosed
EP-4093509-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS F. Hoffmann-La Roche AG (CH) 2022-11-30 EP disclosed
EP-4082614-A1 ACYLSULFAMIDE COMPOUND AND PHARMACEUTICAL USE THEREFOR Japan Tobacco Inc. (JP) 2022-11-02 EP disclosed
CN-114829345-A Acylsulfonamide compound and medicinal use thereof 日本烟草产业株式会社 2022-07-29 CN disclosed
WO-2021150574-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS GENENTECH, INC. (US) 2021-07-29 WO disclosed
WO-2021132577-A1 ACYLSULFAMIDE COMPOUND AND PHARMACEUTICAL USE THEREFOR 日本たばこ産業株式会社 2021-07-01 WO disclosed
WO-2021132577-A1 ACYLSULFAMIDE COMPOUND AND PHARMACEUTICAL USE THEREFOR 日本たばこ産業株式会社 2021-07-01 WO disclosed
WO-2017184624-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM THERAPEUTICS, INC (US) 2017-10-26 WO disclosed
US-3936293-A PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1976-02-03 US 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 (3 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-20230159555-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS NLRP3, NLRP1, PYCARD NOS3 1355/4885NOS1 997/4885NOS2 1055/4885
US-12617802-B2 Sulfonimidamide compounds as NLRP3 modulators NLRP3, NLRP1, PYCARD NOS3 1579/4885NOS1 1384/4885NOS2 1410/4885
US-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor NLRP3, NLRP1, NOD1 NOS3 3183/4885NOS1 2771/4885NOS2 3271/4885

“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.