SCHEMBL25299079

SCHEMBL25299079

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.43
SCN9A Q15858 1/20 0.43
ESR2 Q92731 1/20 0.43
UCHL1 P09936 1/20 0.42
MAPK1 P28482 1/20 0.42
NR1H2 P55055 1/20 0.42
ABHD6 Q9BV23 5/20 0.40
NAMPT P43490 5/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37

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
SCHEMBL25299080 1.00 ADORA1 (0.43) ADORA1SCN9AESR2UCHL1MAPK1
SCHEMBL31057139 1.00 ADORA1 (0.43) ADORA1SCN9AESR2UCHL1MAPK1
SCHEMBL25300998 0.89 ADORA1 (0.46) ADORA1SCN9AESR2UCHL1MAPK1
SCHEMBL31057166 0.89 ADORA1 (0.46) ADORA1SCN9AESR2UCHL1MAPK1
SCHEMBL25259759 0.89 ADORA1 (0.46) ADORA1SCN9AESR2UCHL1MAPK1
SCHEMBL31057323 0.89 UCHL1 (0.46) ADORA1SCN9AESR2UCHL1MAPK1
SCHEMBL25258439 0.89 UCHL1 (0.46) ADORA1SCN9AESR2UCHL1MAPK1
SCHEMBL25302754 0.89 UCHL1 (0.46) ADORA1SCN9AESR2UCHL1MAPK1
SCHEMBL28739021 0.84 SCN9A (0.38) ADORA1SCN9AESR2UCHL1MAPK1
SCHEMBL29644385 0.84 SCN9A (0.38) ADORA1SCN9AESR2UCHL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-4446312-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-10-16 EP disclosed
WO-2023132369-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT 中外製薬株式会社 2023-07-13 WO disclosed
WO-2023132369-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT 中外製薬株式会社 2023-07-13 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 (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 1811/4885SCN9A 2481/4885ESR2 143/4885
US-20250171457-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT KEAP1, NFE2L2, BACH1 ADORA1 1811/4885SCN9A 2481/4885ESR2 143/4885
US-20250084093-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT KEAP1, NFE2L2, BACH1 ADORA1 1780/4885SCN9A 2415/4885ESR2 144/4885

“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.