SCHEMBL31233741

SCHEMBL31233741

CC(C)(C)OC(=O)N1CCc2cc(OCc3ccccc3)ncc2C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.56
NR1H2 P55055 1/20 0.49
TMEM97 Q5BJF2 5/20 0.47
SIGMAR1 Q99720 5/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
GPR119 Q8TDV5 3/20 0.46
GPR183 P32249 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
P2RX3 P56373 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42

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
SCHEMBL31233739 1.00 ESR2 (0.56) ESR2NR1H2TMEM97SIGMAR1MAPT
SCHEMBL31233633 0.91 GPR119 (0.46) ESR2NR1H2TMEM97SIGMAR1MAPK1
SCHEMBL23684926 0.83 ESR2 (0.64) ESR2NR1H2TMEM97SIGMAR1MAPK1
SCHEMBL30474182 0.81 ESR2 (0.50) ESR2NR1H2TMEM97SIGMAR1MAPT
SCHEMBL30719471 0.81 MAPT (0.52) ESR2NR1H2MAPTMAPK1GPR119
SCHEMBL31413067 0.81 ESR2 (0.50) ESR2NR1H2TMEM97SIGMAR1MAPT
SCHEMBL17893669 0.81 MAPT (0.52) ESR2NR1H2MAPTMAPK1GPR119
SCHEMBL30199590 0.81 NR1H2 (0.60) ESR2NR1H2TMEM97SIGMAR1MAPK1
SCHEMBL29852671 0.81 TMEM97 (0.54) ESR2TMEM97SIGMAR1
SCHEMBL23684873 0.80 ESR2 (0.57) ESR2NR1H2TMEM97SIGMAR1MAPK1

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
US-20260092076-A1 NOVEL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2026-04-02 US disclosed
EP-4695243-A1 NLRP3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2026-02-18 EP disclosed
WO-2024213552-A1 NLRP3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-10-17 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-20260092076-A1 NOVEL COMPOUNDS NOD1, NLRP3, ARRB1 ESR2 732/4885NR1H2 21/4885TMEM97 259/4885

“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.