SCHEMBL6210320

SCHEMBL6210320

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
SCHEMBL21585804 1.00 GAA (0.40) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL6213009 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-4069693-B1 HYDROPYRIDO[1,2-ALPHA]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES HOFFMANN LA ROCHE (CH) 2024-03-20 EP disclosed
EP-3802539-B1 TETRAHYDRO-1H-PYRAZINO[2,1-A]ISOINDOLYLQUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-20 EP disclosed
EP-3856737-B1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-05-17 EP disclosed
US-20230022297-A1 HYDROPYRIDO[1,2-a]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-01-26 US disclosed
EP-4069693-A1 HYDROPYRIDO[1,2-ALPHA]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2022-10-12 EP disclosed
US-20210395239-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-12-23 US disclosed
US-20210395239-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-12-23 US disclosed
US-20210371432-A1 Tetrahydro-1H-pyrazino[2,1-a]isoindolylquinoline Compounds for the Treatment of Autoimmune Disease HOFFMANN-LA ROCHE INC. (US) 2021-12-02 US 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
EP-0757990-B1 7-(1-Pyrrolidoinyl)-3-quinolone and naphthyridone carboxylic acid derivatives, method for their preparation and for substituted mono- and bicyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER HEALTHCARE AG (DE) 2005-03-30 EP disclosed
US-5607942-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
EP-0757990-A1 7-(1-Pyrrolidoinyl)-3-quinolone and naphthyridone carboxylic acid derivatives, method for their preparation and for substituted mono- and bicyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER AG (DE) 1997-02-12 EP disclosed
US-5416096-A 7-(1-pyrrolidinyl)-3-quinolone carboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-05-16 US disclosed
US-5059597-A Animal growth regulators; enterobacter BAYER AKTIENGESELLSCHAFT (DE) 1991-10-22 US disclosed
US-4990517-A 7-(1-pyrrolidinyl)-3-quinolone- and -naphthyridonecarboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
EP-0350733-A2 7-(1-Pyrrolidinyl)-3-quinolone- and -naphthyridone-carboxylic-acid derivatives, method for their preparation and for substituted mono- and bi-cyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER AG (DE) 1990-01-17 EP 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 (4 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-20210395239-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, HLA-DRB1, UACA GAA 2556/4885EPHX2 1020/4885NFKB1 167/4885
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-20210371432-A1 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-20230022297-A1 HYDROPYRIDO[1,2-a]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE TLR7, TLR9, TLR5 GAA 2868/4885EPHX2 4260/4885NFKB1 338/4885

“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.