SCHEMBL30042409

SCHEMBL30042409

CC1CCc2cc3c(cc21)CCC3

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.35
HTR2A P28223 6/20 0.35
HTR2B P41595 6/20 0.35
MAOA P21397 3/20 0.32
DRD2 P14416 2/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2C9 P11712 1/20 0.32
DRD3 P35462 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DRD4 P21917 1/20 0.32
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL15413017 0.87 CA1 (0.37) HTR2CHTR2AHTR2BMAOADRD2
SCHEMBL30041669 0.80 HTR2A (0.32) HTR2CHTR2AHTR2BGRIN2DGRIN3B
SCHEMBL15412529 0.79 CA1 (0.36) HTR2CHTR2AHTR2BTSHRKDM4E
SCHEMBL30042234 0.78 HTR2A (0.33) HTR2CHTR2AHTR2BMAOADRD2
SCHEMBL30042426 0.75 CYP1A2 (0.34)
SCHEMBL23674537 0.74 UGT2B17 (0.36) DRD2HIF1AHSD17B10
SCHEMBL5373765 0.74 MAOA (0.58) HTR2CHTR2AHTR2BMAOADRD2
SCHEMBL30043058 0.74 ADRA2A (0.41) HTR2CHTR2AHTR2B
SCHEMBL11408644 0.72 HTR2A (0.42) HTR2CHTR2AHTR2B
SCHEMBL12978371 0.72 KMT2A (0.41) MAOAGRIN2DGRIN3BGRIN1GRIN2A

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-12084424-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2024-09-10 US disclosed
US-20230416211-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-12-28 US disclosed
EP-4093509-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS F. Hoffmann-La Roche AG (CH) 2022-11-30 EP 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 (2 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-12084424-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 HTR2C 3462/4885HTR2A 2337/4885HTR2B 3726/4885
US-20230416211-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 HTR2C 3462/4885HTR2A 2337/4885HTR2B 3726/4885

“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.