SCHEMBL916274

SCHEMBL916274

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.46
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE4B Q07343 1/20 0.42
KMT2A Q03164 2/20 0.41
RORC P51449 1/20 0.41
GPR119 Q8TDV5 5/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
P2RY14 Q15391 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
HPGDS O60760 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
SCHEMBL15109719 1.00 USP30 (0.46) USP30USP2SMN1; SMN2PDE4BKMT2A
SCHEMBL917040 0.89 GPR119 (0.52) USP30USP2SMN1; SMN2PDE4BKMT2A
SCHEMBL917038 0.89 GPR119 (0.52) USP30USP2SMN1; SMN2PDE4BKMT2A
SCHEMBL15109717 0.89 KMT2A (0.46) USP30USP2SMN1; SMN2PDE4BKMT2A
SCHEMBL15109716 0.89 KMT2A (0.46) USP30USP2SMN1; SMN2PDE4BKMT2A
SCHEMBL31385973 0.89 KMT2A (0.46) USP30USP2SMN1; SMN2PDE4BKMT2A
SCHEMBL1624754 0.89 USP30 (0.48) USP30USP2SMN1; SMN2RORCGPR119
SCHEMBL1624752 0.89 USP30 (0.48) USP30USP2SMN1; SMN2RORCGPR119
SCHEMBL497161 0.88 USP2 (0.46) USP30USP2SMN1; SMN2PDE4BRORC
SCHEMBL323889 0.88 USP2 (0.46) USP30USP2SMN1; SMN2PDE4BRORC

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181230-B2 Morpholine compounds and uses thereof HOFFMANN-LA ROCHE INC. (US) 2015-11-10 US disclosed
EP-2802578-B1 HETEROCYCLIC DERIVATIVES AS TRACE AMINE ASSOCIATED RECEPTORS (TAARS) HOFFMANN LA ROCHE (CH) 2015-10-07 EP disclosed
US-20150045359-A1 MORPHOLINE COMPOUNDS AND USES THEREOF HOFFMANN-LA ROCHE INC. (US) 2015-02-12 US disclosed
EP-2802578-A1 HETEROCYCLIC DERIVATIVES AS TRACE AMINE ASSOCIATED RECEPTORS (TAARS) F.HOFFMANN-LA ROCHE AG (CH) 2014-11-19 EP disclosed
CN-104024250-A HETEROCYCLIC DERIVATIVES AS TRACE AMINE ASSOCIATED RECEPTORS (TAARS) HOFFMANN LA ROCHE 2014-09-03 CN disclosed
WO-2013104591-A1 HETEROCYCLIC DERIVATIVES AS TRACE AMINE ASSOCIATED RECEPTORS (TAARS) F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 WO disclosed
EP-2197877-B1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-1, 2, 4-OXADIAZOL-5-YL) PHENYL) MORPHOLINO) -6- (PYRIMIDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR SANOFI SA (FR) 2013-05-15 EP disclosed
EP-2197877-B1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-1, 2, 4-OXADIAZOL-5-YL) PHENYL) MORPHOLINO) -6- (PYRIMIDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR SANOFI SA (FR) 2013-05-15 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
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
EP-2197877-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 Sanofi-Aventis (FR) 2010-06-23 EP 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
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 (2 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-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 USP30 3364/4885USP2 2611/4885SMN1; SMN2 315/4885
US-20150045359-A1 MORPHOLINE COMPOUNDS AND USES THEREOF TAAR1, TAAR5, AGTR1 USP30 3606/4885USP2 4210/4885SMN1; SMN2 1070/4885

“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.