SCHEMBL31045837

SCHEMBL31045837

COc1c(CC(=O)OC(C)(C)C)ccc(Cl)c1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.44
MTNR1B P49286 5/20 0.44
IMPDH2 P12268 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.35
MEP1B Q16820 1/20 0.34
HTT P42858 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL31045663 0.84 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1KDM4EHSD17B10
SCHEMBL9926525 0.79 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1KDM4EMEP1B
SCHEMBL31045720 0.77 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1KDM4EHSD17B10
SCHEMBL21620964 0.75 MTNR1A (0.45) MTNR1AMTNR1BKDM4EHSD17B10L3MBTL1
SCHEMBL31045879 0.75 MTNR1A (0.45) MTNR1AMTNR1BALDH1A1KDM4EMEP1B
SCHEMBL27287731 0.72 MTNR1A (0.52) MTNR1AMTNR1BALDH1A1KDM4EHTT
SCHEMBL9926560 0.72 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1KDM4EHTT
SCHEMBL1427892 0.72 ALDH1A1 (0.44) IMPDH2ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL23703918 0.71 MTNR1A (0.44) MTNR1AMTNR1BKMT2A
SCHEMBL22045849 0.71 MTNR1A (0.45) MTNR1AMTNR1BMAPT

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 MTNR1A 329/4885MTNR1B 508/4885IMPDH2 3345/4885

“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.