SCHEMBL21585804

SCHEMBL21585804

CO[C@@H]1CNC[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
EPHX2 P34913 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KDM1A O60341 2/20 0.38
BTK Q06187 1/20 0.38
EPHX1 P07099 1/20 0.36
CTSK P43235 2/20 0.35
HTR3A P46098 1/20 0.34
HTR4 Q13639 1/20 0.34
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL21589214 1.00 GAA (0.40) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL6213009 1.00 GAA (0.40) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL6210320 1.00 GAA (0.40) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL7495886 1.00 GAA (0.40) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL30062039 0.89 GAA (0.38) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL25145140 0.86 BTK (0.38) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL22233663 0.86 HTR3A (0.45) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL1468743 0.86 BTK (0.38) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL12135068 0.86 HTR3A (0.45) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL19918949 0.86 HTR3A (0.45) GAAEPHX2NFKB1NFKB2RELA

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12486273-B2 Hydro-1H-pyrrolo[1,2-a]pyrazine compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2025-12-02 US disclosed
US-12421252-B2 Spiro (isobenzofuranazetidine) compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2025-09-23 US disclosed
US-12421229-B2 Hydropyrido[1,2-α]pyrazine compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2025-09-23 US disclosed
US-12421240-B2 Hydropyrazino[1,2-d][1,4]diazepine compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2025-09-23 US disclosed
EP-4061821-B1 SPIRO(ISOBENZOFURANAZETIDINE) COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2025-08-06 EP disclosed
CN-113710672-B Hexahydro-1H-pyrazino [1,2-a ] pyrazine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2025-01-03 CN disclosed
US-12157746-B2 Tetrahydro-1H-pyrazino[2,1-a]isoindolylquinoline compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2024-12-03 US disclosed
US-20240360126-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2024-10-31 US disclosed
US-20240317735-A1 HYDROISOQUINOLINE OR HYDRONAPHTHYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2024-09-26 US disclosed
EP-4069693-B1 HYDROPYRIDO[1,2-ALPHA]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES HOFFMANN LA ROCHE (CH) 2024-03-20 EP disclosed
WO-2021099284-A1 HYDRO-1H-PYRROLO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-05-27 WO disclosed
WO-2021099406-A1 SPIRO(ISOBENZOFURANAZETIDINE) COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-05-27 WO disclosed
WO-2021084022-A1 HYDROPYRAZINO[1,2-D][1,4]DIAZEPINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-05-06 WO disclosed
CN-112752755-A Heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-05-04 CN disclosed
EP-3802539-A1 TETRAHYDRO-1 H-PYRAZINO[2,1 -AJISOINDOLYLQUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-04-14 EP disclosed
CN-112204028-A tetrahydro-1H-pyrazino [2,1-a ] isoindolyl quinoline compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-01-08 CN disclosed
WO-2020207991-A1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-10-15 WO disclosed
WO-2020207991-A1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-10-15 WO disclosed
WO-2019233941-A1 TETRAHYDRO-1 H-PYRAZINO[2,1 -AJISOINDOLYLQUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-12 WO disclosed
WO-2019233941-A1 TETRAHYDRO-1 H-PYRAZINO[2,1 -AJISOINDOLYLQUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-12 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 (7 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-12421240-B2 Hydropyrazino[1,2-d][1,4]diazepine compounds for the treatment of autoimmune disease HRH3, HRH4, HRH2 GAA 3279/4885EPHX2 1774/4885NFKB1 750/4885
US-12421229-B2 Hydropyrido[1,2-α]pyrazine compounds for the treatment of autoimmune disease TLR7, TLR9, TLR1 GAA 2587/4885EPHX2 4244/4885NFKB1 248/4885
US-20240317735-A1 HYDROISOQUINOLINE OR HYDRONAPHTHYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HRH3, H1-3, HRH4 GAA 2447/4885EPHX2 2012/4885NFKB1 1060/4885
US-20240360126-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, TPMT, KCNB2 GAA 3447/4885EPHX2 3302/4885NFKB1 852/4885
US-12421252-B2 Spiro (isobenzofuranazetidine) compounds for the treatment of autoimmune disease REN, PKD2, PKD1 GAA 1678/4885EPHX2 2116/4885NFKB1 199/4885
US-12157746-B2 Tetrahydro-1H-pyrazino[2,1-a]isoindolylquinoline compounds for the treatment of autoimmune disease HLA-DRB1, SSB, REN GAA 3764/4885EPHX2 2950/4885NFKB1 158/4885
US-12486273-B2 Hydro-1H-pyrrolo[1,2-a]pyrazine compounds for the treatment of autoimmune disease AQP1, HRH2, HRH1 GAA 3677/4885EPHX2 1652/4885NFKB1 607/4885

“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.