SCHEMBL503532

SCHEMBL503532

CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.49
EPHA2 P29317 2/20 0.45
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE4B Q07343 1/20 0.43
FPR2 P25090 6/20 0.42
USP30 Q70CQ3 3/20 0.41
FPR3 P25089 3/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
RECQL P46063 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL503531 1.00 RORC (0.49) RORCEPHA2USP2SMN1; SMN2PDE4B
SCHEMBL1993504 1.00 RORC (0.49) RORCEPHA2USP2SMN1; SMN2PDE4B
SCHEMBL497161 0.89 USP2 (0.46) RORCUSP2SMN1; SMN2PDE4BUSP30
SCHEMBL323889 0.89 USP2 (0.46) RORCUSP2SMN1; SMN2PDE4BUSP30
SCHEMBL503546 0.88 NR1H2 (0.45) RORCUSP2SMN1; SMN2PDE4BUSP30
SCHEMBL1992838 0.88 NR1H2 (0.45) RORCUSP2SMN1; SMN2PDE4BUSP30
SCHEMBL8062043 0.88 USP2 (0.44) RORCUSP2SMN1; SMN2PDE4BUSP30
SCHEMBL503547 0.88 NR1H2 (0.45) RORCUSP2SMN1; SMN2PDE4BUSP30
SCHEMBL30373982 0.88 RORC (0.44) RORCUSP2SMN1; SMN2PDE4BRECQL
SCHEMBL1624754 0.87 USP30 (0.48) RORCUSP2SMN1; SMN2USP30NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
CN-114599652-B Hydropyrazino [1,2-d ] [1,4] diazepine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2024-07-12 CN disclosed
EP-3953356-B1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-07-26 EP disclosed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
EP-3856737-B1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-05-17 EP disclosed
US-20230034723-A1 HYDROPYRAZINO[1,2-D][1,4]DIAZEPINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-02-02 US disclosed
US-20220340597-A1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-10-27 US disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 EP disclosed
EP-3953356-A1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2022-02-16 EP disclosed
US-8288383-B2 3-methyl-2- ( (2S) -2- (4- (3-methyl-L, 2, 4-oxadiazol-5-YL) phenyl) morpholino) -6- (pyrim-idin-4-yl) pyrimidin-4 (3H) -one as tau protein kinase inhibitor SANOFI (FR) 2012-10-16 US disclosed
WO-2012126922-A1 HETEROCYCLIC AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-27 WO disclosed
US-20120245172-A1 HETEROCYCLIC AMINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-09-27 US disclosed
WO-2012016879-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-09 WO disclosed
US-20120028964-A1 PHARMACEUTICAL COMBINATION SEMINIS VEGETABLE SEEDS, INC. 2012-02-02 US disclosed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 WO disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 US disclosed
US-20110003988-A1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-L, 2, 4-0XADIAZ0L-5-YL) PHENYL) MORPHOLINO) -6- (PYRIM-IDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR SANOFI-AVENTIS (FR) 2011-01-06 US disclosed
US-20110003988-A1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-L, 2, 4-0XADIAZ0L-5-YL) PHENYL) MORPHOLINO) -6- (PYRIM-IDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR SANOFI-AVENTIS (FR) 2011-01-06 US disclosed
WO-2009035159-A1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-L, 2, 4-0XADIAZ0L-5-YL) PHENYL) MORPHOLINO) -6- (PYRIMIDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-19 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 (8 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-20120245172-A1 HETEROCYCLIC AMINE DERIVATIVES TAAR1, TAAR5, MTNR1A RORC 524/4885EPHA2 987/4885USP2 4753/4885
US-12421240-B2 Hydropyrazino[1,2-d][1,4]diazepine compounds for the treatment of autoimmune disease HRH3, HRH4, HRH2 RORC 47/4885EPHA2 3525/4885USP2 4529/4885
US-20120028964-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R RORC 826/4885EPHA2 1760/4885USP2 4096/4885
US-20110003988-A1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-L, 2, 4-0XADIAZ0L-5-YL) PHENYL) MORPHOLINO) -6- (PYRIM-IDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR MAPT, PSEN2, PSEN1 RORC 2729/4885EPHA2 3469/4885USP2 2611/4885
US-20220340597-A1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, IL5, REN RORC 275/4885EPHA2 3795/4885USP2 4004/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R RORC 887/4885EPHA2 2239/4885USP2 4393/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R RORC 887/4885EPHA2 2239/4885USP2 4393/4885
US-20230034723-A1 HYDROPYRAZINO[1,2-D][1,4]DIAZEPINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HRH3, HRH4, HRH2 RORC 47/4885EPHA2 3525/4885USP2 4529/4885

“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.