SCHEMBL503578

SCHEMBL503578

CC(C)(C)OC(=O)N1CCOC(c2ccc(N=C(c3ccccc3)c3ccccc3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.43
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
RORC P51449 2/20 0.41
GPR119 Q8TDV5 1/20 0.40
HPGDS O60760 1/20 0.39
NAMPT P43490 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL503579 1.00 USP30 (0.43) USP30KDM4EPKMRORCGPR119
SCHEMBL1990004 1.00 USP30 (0.43) USP30KDM4EPKMRORCGPR119
SCHEMBL1624754 0.87 USP30 (0.48) USP30KDM4EPKMRORCGPR119
SCHEMBL1624752 0.87 USP30 (0.48) USP30KDM4EPKMRORCGPR119
SCHEMBL28835642 0.86 USP30 (0.39) USP30KDM4EPKMRORCGPR119
SCHEMBL12695288 0.86 HPGDS (0.41) USP30KDM4EPKMRORCGPR119
SCHEMBL17224154 0.86 HPGDS (0.44) USP30KDM4EPKMGPR119HPGDS
SCHEMBL12609838 0.86 HDAC6 (0.40) USP30KDM4EPKMRORCGPR119
SCHEMBL15942578 0.86 USP30 (0.39) USP30KDM4EPKMRORCGPR119
SCHEMBL12609862 0.85 USP30 (0.42) USP30KDM4EPKMRORCGPR119

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 31 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
CN-114874143-A Regulator containing pyrazole derivatives, preparation method and application thereof 上海翰森生物医药科技有限公司 2022-08-09 CN disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 EP disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 US disclosed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 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
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
US-9487501-B2 Pyrazole carboxamide compounds and uses thereof HOFFMANN-LA ROCHE INC. (US) 2016-11-08 US disclosed
EP-2895478-B1 TRIAZOLE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-10-19 EP disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 US 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
US-20130345201-A1 PHARMACEUTICAL COMBINATION HOFFMANN-LA ROCHE INC. (US) 2013-12-26 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-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 (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 USP30 3995/4885KDM4E 4016/4885PKM 1649/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R USP30 3863/4885KDM4E 1864/4885PKM 2078/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R USP30 3863/4885KDM4E 1864/4885PKM 2078/4885
US-20120316172-A1 PYRAZOLE DERIVATIVES TAAR1, TAAR5, NPY1R USP30 4118/4885KDM4E 3125/4885PKM 1097/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R USP30 3863/4885KDM4E 1864/4885PKM 2078/4885
US-20130345201-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R USP30 3995/4885KDM4E 4016/4885PKM 1649/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R USP30 3863/4885KDM4E 1864/4885PKM 2078/4885

“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.