SCHEMBL31057166

SCHEMBL31057166

CCOC(=O)C[C@@H](C)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.46
ESR2 Q92731 1/20 0.43
ABHD6 Q9BV23 3/20 0.43
UCHL1 P09936 1/20 0.43
MAPK1 P28482 1/20 0.43
NR1H2 P55055 1/20 0.43
SCN9A Q15858 1/20 0.42
ACACB O00763 1/20 0.40
NAMPT P43490 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
C5AR1 P21730 1/20 0.39
MAP3K5 Q99683 1/20 0.38

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
SCHEMBL25300998 1.00 ADORA1 (0.46) ADORA1ESR2ABHD6UCHL1MAPK1
SCHEMBL25259759 1.00 ADORA1 (0.46) ADORA1ESR2ABHD6UCHL1MAPK1
SCHEMBL25299080 0.89 ADORA1 (0.43) ADORA1ESR2ABHD6UCHL1MAPK1
SCHEMBL25299079 0.89 ADORA1 (0.43) ADORA1ESR2ABHD6UCHL1MAPK1
SCHEMBL31057139 0.89 ADORA1 (0.43) ADORA1ESR2ABHD6UCHL1MAPK1
SCHEMBL31297088 0.88 UCHL1 (0.48) ADORA1ESR2ABHD6UCHL1MAPK1
SCHEMBL10169288 0.83 ESR2 (0.52) ADORA1ESR2ABHD6UCHL1MAPK1
SCHEMBL16269236 0.80 ALDH1A1 (0.49) ADORA1ESR2ABHD6UCHL1MAPK1
SCHEMBL15824228 0.80 ABHD6 (0.48) ADORA1ESR2ABHD6UCHL1MAPK1
SCHEMBL25302754 0.80 UCHL1 (0.46) ADORA1ESR2ABHD6UCHL1MAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4696692-A1 CRYSTAL OF NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2026-02-18 EP disclosed
US-12441735-B2 Nitrogen-containing heterocyclic compound having NRF2 activation effect CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-10-14 US disclosed
US-20250171457-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT CHUGAI PHARMACEUTICAL CO LTD (JP) 2025-05-29 US disclosed
US-20250084093-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT CHUGAI PHARMACEUTICAL CO LTD (JP) 2025-03-13 US disclosed
WO-2024262491-A1 CRYSTAL OF NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT 中外製薬株式会社 2024-12-26 WO disclosed
EP-4446312-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-10-16 EP disclosed
CN-118488944-A Nitrogen-containing heterocyclic compound having Nrf2 activation 中外制药株式会社 2024-08-13 CN 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 (3 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-12441735-B2 Nitrogen-containing heterocyclic compound having NRF2 activation effect KEAP1, NFE2L2, BACH1 ADORA1 1811/4885ESR2 143/4885ABHD6 3687/4885
US-20250171457-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT KEAP1, NFE2L2, BACH1 ADORA1 1811/4885ESR2 143/4885ABHD6 3687/4885
US-20250084093-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT KEAP1, NFE2L2, BACH1 ADORA1 1780/4885ESR2 144/4885ABHD6 3693/4885

“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.