SCHEMBL3622009

SCHEMBL3622009

COC(=O)C(N)(C(=O)OC(C)(C)C)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.43
MIF P14174 1/20 0.40
ESR1 P03372 4/20 0.38
CYP3A4 P08684 4/20 0.38
ESR2 Q92731 4/20 0.38
TYR P14679 2/20 0.38
LMNA P02545 1/20 0.38
AR P10275 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR6 P50406 1/20 0.38
ESRRG P62508 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 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
SCHEMBL1554119 1.00 DGAT1 (0.43) DGAT1MIFESR1CYP3A4ESR2
SCHEMBL2582578 1.00 DGAT1 (0.43) DGAT1MIFESR1CYP3A4ESR2
SCHEMBL1525551 0.86 MEN1 (0.43) DGAT1LMNAHPGDALDH1A1MAPT
SCHEMBL3503826 0.86 KMT2A (0.44) DGAT1LMNAHPGDTSHRKCNN4
SCHEMBL1525462 0.86 MEN1 (0.43) DGAT1LMNAHPGDALDH1A1MAPT
SCHEMBL27492836 0.85 BLM (0.44) MIFESR1CYP3A4ESR2TYR
SCHEMBL27492837 0.85 BLM (0.44) MIFESR1CYP3A4ESR2TYR
SCHEMBL7565066 0.84 ELANE (0.40) MIFESR1CYP3A4ESR2TYR
SCHEMBL3503452 0.84 SRD5A2 (0.44) DGAT1TSHRCA1CA2KCNN4
SCHEMBL3619413 0.82 HSD17B1 (0.39) DGAT1ESR1CYP3A4ESR2KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114906-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8604061-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2013-12-10 US disclosed
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO (DE) 2012-08-02 US disclosed
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO 2010-05-13 US 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 (3 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-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R DGAT1 3190/4885MIF 4041/4885ESR1 974/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R DGAT1 3271/4885MIF 4126/4885ESR1 1103/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R DGAT1 3190/4885MIF 4041/4885ESR1 974/4885

“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.