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Sugi Predict / Compounds / SCHEMBL1992838

SCHEMBL1992838

SCHEMBL1992838

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
SCHEMBL503546 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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 — — US disclosed
US-11312711-B2 Morpholine derivative HOFFMANN-LA ROCHE INC. (US) 2022-04-26 — — US disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 — — EP disclosed
CN-108713019-B 5-Ethyl-4-methyl-pyrazole-3-carboxamide derivatives having Activity as agonists of TAAR 豪夫迈·罗氏有限公司 2021-06-15 — — CN disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 — — US disclosed
CN-105793430-B Process for the preparation of chiral 2-arylmorpholines 豪夫迈·罗氏有限公司 2020-03-03 — — CN disclosed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 — — US disclosed
US-10337039-B2 Process for the preparation of chiral 2-aryl morpholines HOFFMANN-LA ROCHE INC. (US) 2019-07-02 — — US disclosed
US-10337039-B2 Process for the preparation of chiral 2-aryl morpholines HOFFMANN-LA ROCHE INC. (US) 2019-07-02 — — US disclosed
EP-2895477-B1 PYRAZOLE CARBOXAMIDE DERIVATIVES AS TAAR MODULATORS FOR USE IN THE TREATMENT OF SEVERAL DISORDERS, SUCH AS DEPRESSION, DIABETES AND PARKINSON'S DISEASE. HOFFMANN LA ROCHE (CH) 2017-11-01 — — EP disclosed
WO-2014041007-A1 PYRAZOLE CARBOXAMIDE DERIVATIVES AS TAAR MODULATORS FOR USE IN THE TREATMENT OF SEVERAL DISORDERS, SUCH AS DEPRESSION, DIABETES AND PARKINSON'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2014-03-20 — — WO disclosed
EP-2688870-A1 HETEROCYCLIC AMINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-01-29 — — EP disclosed
WO-2013104591-A1 HETEROCYCLIC DERIVATIVES AS TRACE AMINE ASSOCIATED RECEPTORS (TAARS) F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 — — WO 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
US-20120245172-A1 HETEROCYCLIC AMINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-09-27 — — US disclosed
WO-2012126922-A1 HETEROCYCLIC AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-27 — — 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

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-10337039-B2 Process for the preparation of chiral 2-aryl morpholines TAAR1, TAAR5, TACR2 NR1H2 448/4885USP2 3171/4885SMN1; SMN2 2353/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NR1H2 284/4885USP2 4393/4885SMN1; SMN2 1965/4885
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-11312711-B2 Morpholine derivative TAAR1, TAAR5, TACR1 NR1H2 586/4885USP2 4778/4885SMN1; SMN2 639/4885
US-20200048194-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

“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.