SCHEMBL19791885

SCHEMBL19791885

O=C=Nc1cc2c(c3c1CCC3)CCC2

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.36
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL30120778 1.00 CYP3A4 (0.36) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL19791889 0.98 CYP3A4 (0.35) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL22012689 0.79 PARP1 (0.32) CYP3A4TRPA1
SCHEMBL19791887 0.78 TRPA1 (0.30) CYP3A4TRPA1
SCHEMBL6867779 0.78 TRPA1 (0.33) CYP3A4TRPA1ALDH1A1
SCHEMBL11103476 0.77 CYP3A4 (0.46) CYP3A4TRPA1TDP1
SCHEMBL19791775 0.77 TRPA1 (0.32) CYP3A4TRPA1
SCHEMBL19791962 0.76 TRPA1 (0.32) CYP3A4TRPA1ALDH1A1
SCHEMBL20681025 0.76 TRPA1 (0.32) CYP3A4TRPA1ALDH1A1
SCHEMBL9709998 0.71 CYP3A4 (0.37) CYP3A4TRPA1

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
US-20230011652-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-12 US disclosed
WO-2020254697-A1 FUSED 1,2 THIAZOLES AND 1,2 THIAZINES WHICH ACT AS NL3P3 MODULATORS AC IMMUNE SA (CH) 2020-12-24 WO disclosed
WO-2018015445-A1 SULFONYL UREA DERIVATIVES AND THEIR USE IN THE CONTROL OF INTERLEUKIN-1 ACTIVITY NodThera Limited (GB) 2018-01-25 WO disclosed
EP-3272739-A1 SULFONYL UREA DERIVATIVES AND THEIR USE IN THE CONTROL OF INTERLEUKIN-1 ACTIVITY NodThera Limited (GB) 2018-01-24 EP disclosed
EP-3272739-A1 SULFONYL UREA DERIVATIVES AND THEIR USE IN THE CONTROL OF INTERLEUKIN-1 ACTIVITY NodThera Limited (GB) 2018-01-24 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 (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-20230011652-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CYP3A4 2521/4885TRPA1 148/4885ALDH1A1 2065/4885

“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.