Sugi Predict

Sugi Predict / Compounds / SCHEMBL503546

SCHEMBL503546

SCHEMBL503546

CC(C)(C)OC(=O)N1CCOC(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
SCHEMBL503547 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 166 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-11878975-B2 Substituted indole compounds useful as TLR inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-23 — — US disclosed
CN-111491930-B Substituted Indole Compounds Useful as TLR Inhibitors 百时美施贵宝公司 2023-09-26 — — CN disclosed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 — — US disclosed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 — — US 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
US-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS SYNGENE INTERNATIONAL LIMITED (IN) 2023-04-20 — — US disclosed
US-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS SYNGENE INTERNATIONAL LIMITED (IN) 2023-04-20 — — US 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
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-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 — — US disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 — — US disclosed
WO-2011044535-A2 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2011-04-14 — — WO disclosed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 — — EP disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 — — 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 (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-20120028964-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R NR1H2 828/4885USP2 4096/4885SMN1; SMN2 3484/4885
US-11878975-B2 Substituted indole compounds useful as TLR inhibitors TLR1, TLR7, TLR9 NR1H2 406/4885USP2 4581/4885SMN1; SMN2 4651/4885
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-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R NR1H2 284/4885USP2 4393/4885SMN1; SMN2 1965/4885
US-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS TLR1, TLR3, TLR9 NR1H2 462/4885USP2 4655/4885SMN1; SMN2 4495/4885
US-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 NR1H2 3187/4885USP2 4335/4885SMN1; SMN2 2398/4885

“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.