SCHEMBL25033705

SCHEMBL25033705

Cc1ccc2c(c1C(C)(C)C)CCC2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.35
DRD4 P21917 1/20 0.35
PARP1 P09874 1/20 0.34
POLB P06746 2/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
BCL2L1 Q07817 1/20 0.32
BAD Q92934 1/20 0.32
LMNA P02545 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CCR4 P51679 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR2C P28335 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
MITF O75030 1/20 0.30
MAPT P10636 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
SCHEMBL25085404 0.89 TSHR (0.31)
SCHEMBL20932959 0.80 PNMT (0.40) PARP1HTR2C
SCHEMBL17030748 0.76 BCL2L1 (0.47) CES1BCL2L1BADCCR4NOS3
SCHEMBL19505673 0.76 NLRP3 (0.38) LMNASMN1; SMN2MAPT
SCHEMBL29240609 0.74 NLRP3 (0.37) BCL2L1BADSMN1; SMN2MAPT
SCHEMBL19296831 0.73 HTR2A (0.39) POLBLMNASMN1; SMN2HTR2CMAPT
SCHEMBL24428893 0.73 CES1 (0.39) CES1DRD4PARP1POLBRAPGEF4
SCHEMBL22012548 0.72 NLRP3 (0.36) SMN1; SMN2MAPT
SCHEMBL23944932 0.71 PARP1 (0.46) CES1PARP1RAPGEF4BCL2L1BAD
SCHEMBL10928179 0.71 LMNA (0.40) CES1BCL2L1BADLMNA

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-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-02 US disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 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 (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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CES1 821/4885DRD4 4881/4885PARP1 2052/4885
US-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CES1 925/4885DRD4 4883/4885PARP1 1769/4885

“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.