SCHEMBL22012689

SCHEMBL22012689

O=C=Nc1cc2c(c3c1CCC3=O)CCC2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.32
TRPA1 O75762 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL19791885 0.79 CYP3A4 (0.36) TRPA1CYP3A4
SCHEMBL30120778 0.79 CYP3A4 (0.36) TRPA1CYP3A4
SCHEMBL19791889 0.78 CYP3A4 (0.35) TRPA1CYP3A4
SCHEMBL18007703 0.77 NLRP3 (0.31)
SCHEMBL19791775 0.75 TRPA1 (0.32) TRPA1CYP3A4
SCHEMBL18007721 0.73 MEN1 (0.36)
SCHEMBL23576349 0.73 PARP1 (0.35) PARP1
SCHEMBL21962516 0.73 PARP1 (0.35) PARP1
SCHEMBL20681025 0.72 TRPA1 (0.32) TRPA1CYP3A4
SCHEMBL6867779 0.70 TRPA1 (0.33) TRPA1CYP3A4

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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US 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 PARP1 2052/4885TRPA1 152/4885CYP3A4 2340/4885

“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.