Sugi Predict

Sugi Predict / Compounds / SCHEMBL503547

SCHEMBL503547

SCHEMBL503547

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.45
▸ USP2 O75604 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PDE4B Q07343 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ USP30 Q70CQ3 4/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ ATR Q13535 1/20 0.38
▸ AURKB Q96GD4 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
SCHEMBL1992838 1.00 NR1H2 (0.45) NR1H2USP2SMN1; SMN2PDE4BALDH1A1
SCHEMBL503546 1.00 NR1H2 (0.45) NR1H2USP2SMN1; SMN2PDE4BALDH1A1
SCHEMBL1990033 0.93 NR1H2 (0.44) NR1H2USP2SMN1; SMN2PDE4BALDH1A1
SCHEMBL1990031 0.93 NR1H2 (0.44) NR1H2USP2SMN1; SMN2PDE4BALDH1A1
SCHEMBL323889 0.89 USP2 (0.46) USP2SMN1; SMN2PDE4BRECQLMAPT
SCHEMBL497161 0.89 USP2 (0.46) USP2SMN1; SMN2PDE4BRECQLMAPT
SCHEMBL917040 0.88 GPR119 (0.52) USP2SMN1; SMN2PDE4BRECQLUSP30
SCHEMBL917038 0.88 GPR119 (0.52) USP2SMN1; SMN2PDE4BRECQLUSP30
SCHEMBL503532 0.88 RORC (0.49) NR1H2USP2SMN1; SMN2PDE4BRECQL
SCHEMBL1993504 0.88 RORC (0.49) NR1H2USP2SMN1; SMN2PDE4BRECQL

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 64 patents — showing the first 20. 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-4430032-A1 CATALYTIC HYDROGENATION OF AROMATIC NITRO COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-09-18 — — EP disclosed
US-20240294458-A1 CATALYTIC HYDROGENATION OF AROMATIC NITRO COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-09-05 — — US disclosed
CN-118251382-A Catalytic hydrogenation of aromatic nitro compounds 豪夫迈·罗氏有限公司 2024-06-25 — — CN disclosed
CN-114761406-B Hydropyrido [1,2-a ] pyrazine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2024-04-19 — — CN 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
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 — — US disclosed
WO-2023079128-A1 CATALYTIC HYDROGENATION OF AROMATIC NITRO COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-05-11 — — WO disclosed
WO-2023079128-A1 CATALYTIC HYDROGENATION OF AROMATIC NITRO COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-05-11 — — WO 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-2600853-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-12 — — EP disclosed
US-20120316172-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 — — US disclosed
WO-2012168260-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 — — WO disclosed
EP-2516392-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-31 — — EP 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

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 NR1H2 265/4885USP2 4753/4885SMN1; SMN2 2927/4885
US-20120028964-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R NR1H2 828/4885USP2 4096/4885SMN1; SMN2 3484/4885
US-12421229-B2 Hydropyrido[1,2-α]pyrazine compounds for the treatment of autoimmune disease TLR7, TLR9, TLR1 NR1H2 545/4885USP2 4615/4885SMN1; SMN2 4575/4885
US-20230022297-A1 HYDROPYRIDO[1,2-a]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE TLR7, TLR9, TLR5 NR1H2 811/4885USP2 4643/4885SMN1; SMN2 4550/4885
US-20240294458-A1 CATALYTIC HYDROGENATION OF AROMATIC NITRO COMPOUNDS NOS2, NOS1, NOS3 NR1H2 4135/4885USP2 390/4885SMN1; SMN2 1841/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NR1H2 284/4885USP2 4393/4885SMN1; SMN2 1965/4885
US-20120316172-A1 PYRAZOLE DERIVATIVES TAAR1, TAAR5, NPY1R NR1H2 391/4885USP2 4824/4885SMN1; SMN2 3130/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R NR1H2 284/4885USP2 4393/4885SMN1; SMN2 1965/4885

“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.