SCHEMBL31045873

SCHEMBL31045873

COc1nc(C(F)(F)F)ccc1CC(=O)OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.45
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MBOAT4 Q96T53 1/20 0.39
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL31045799 0.83 MTNR1A (0.43) TRPV1MBOAT4
SCHEMBL3552064 0.82 TRPV1 (0.43) TRPV1MBOAT4PTGS1
SCHEMBL13136015 0.77 MBOAT4 (0.46) TRPV1L3MBTL1MBOAT4PTGS1PTGS2
SCHEMBL12993561 0.76 MBOAT4 (0.44) TRPV1MBOAT4
SCHEMBL23287266 0.75 MBOAT4 (0.45) TRPV1MBOAT4
SCHEMBL17986246 0.75 MBOAT4 (0.45) TRPV1NPSR1MBOAT4PTGS2
SCHEMBL13757105 0.75 MBOAT4 (0.45) TRPV1L3MBTL1MBOAT4PTGS2
SCHEMBL21503515 0.72 MBOAT4 (0.41) TRPV1MBOAT4
SCHEMBL2528780 0.72 MBOAT4 (0.48) TRPV1MBOAT4
SCHEMBL4472362 0.72 MBOAT4 (0.45) TRPV1L3MBTL1MBOAT4

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
EP-4680336-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF Ventus Therapeutics U.S., Inc. (US) 2026-01-21 EP disclosed
US-20260007684-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U S INC (US) 2026-01-08 US disclosed
WO-2024196788-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2024-09-26 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-20260007684-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF NOD1, NLRP3, NOD2 TRPV1 527/4885TSHR 3171/4885NPSR1 1857/4885

“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.