SCHEMBL1834016

SCHEMBL1834016

CC(C)(C)OC(=O)N1[C@@H](C(S)c2nc3ccccc3s2)COC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.40
BRD4 O60885 1/20 0.38
ALOX5 P09917 1/20 0.38
RAB9A P51151 2/20 0.37
PAX8 Q06710 1/20 0.36
SPHK1 Q9NYA1 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
ACKR3 P25106 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
F2 P00734 1/20 0.34
ATR Q13535 2/20 0.33
IDH1 O75874 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3606681 1.00 GPR119 (0.40) GPR119BRD4ALOX5RAB9APAX8
SCHEMBL6732088 0.90 GPR119 (0.40) GPR119BRD4ALOX5RAB9APAX8
SCHEMBL6735701 0.89 GPR119 (0.40) GPR119BRD4ALOX5RAB9APAX8
SCHEMBL3606682 0.75 MAPT (0.46) ALOX5RAB9ACYP1A2CYP2C9HPGD
SCHEMBL1834020 0.75 MAPT (0.46) ALOX5RAB9ACYP1A2CYP2C9HPGD
SCHEMBL6735704 0.75 CYP1A2 (0.46) GPR119BRD4RAB9ACYP1A2CYP2C19
SCHEMBL1834024 0.75 MAPT (0.46) ALOX5RAB9ACYP1A2CYP2C9HPGD
SCHEMBL1760389 0.74 ALDH1A1 (0.38) GPR119BRD4PAX8SPHK1ACKR3
SCHEMBL3619842 0.74 ALDH1A1 (0.38) GPR119BRD4PAX8SPHK1ACKR3
SCHEMBL1760391 0.74 ALDH1A1 (0.38) GPR119BRD4PAX8SPHK1ACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321287-B1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-11-11 EP disclosed
EP-2114906-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8729113-B2 4,5-dihydro-oxazol-2yl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8604061-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2013-12-10 US disclosed
US-8357712-B2 2013-01-22 US disclosed
US-8242153-B2 4,5-dihydro-oxazol-2YL derivatives HOFFMANN-LA ROCHE INC. (US) 2012-08-14 US disclosed
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO (DE) 2012-08-02 US disclosed
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO (DE) 2012-06-28 US disclosed
US-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO 2011-06-16 US disclosed
EP-2321287-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO 2010-05-13 US disclosed
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-02-18 US disclosed
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE INC. 2010-02-04 US disclosed
WO-2010010014-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
EP-2114906-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 US disclosed
WO-2008092785-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 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-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R GPR119 5/4885BRD4 2047/4885ALOX5 813/4885
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R GPR119 5/4885BRD4 2047/4885ALOX5 813/4885
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R GPR119 10/4885BRD4 1824/4885ALOX5 1474/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R GPR119 5/4885BRD4 2047/4885ALOX5 813/4885
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R GPR119 5/4885BRD4 2047/4885ALOX5 813/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R GPR119 9/4885BRD4 2127/4885ALOX5 1612/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R GPR119 10/4885BRD4 1824/4885ALOX5 1474/4885

“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.