SCHEMBL3607479

SCHEMBL3607479

CC/C(=C\[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
BRD4 O60885 1/20 0.39
ABCB1 P08183 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
KLK7 P49862 2/20 0.34
RORC P51449 4/20 0.33
NAMPT P43490 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
STS P08842 1/20 0.32

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
SCHEMBL3607486 1.00 SPHK1 (0.41) SPHK1KDM4EPKMBRD4ABCB1
SCHEMBL3607483 1.00 SPHK1 (0.41) SPHK1KDM4EPKMBRD4ABCB1
SCHEMBL3616041 0.90 BRD4 (0.49) SPHK1BRD4GPR119MEN1KMT2A
SCHEMBL3616035 0.90 BRD4 (0.49) SPHK1BRD4GPR119MEN1KMT2A
SCHEMBL3616039 0.90 BRD4 (0.49) SPHK1BRD4GPR119MEN1KMT2A
SCHEMBL3604349 0.87 BRD4 (0.41) SPHK1KDM4EPKMBRD4ABCB1
SCHEMBL3604354 0.87 BRD4 (0.41) SPHK1KDM4EPKMBRD4ABCB1
SCHEMBL3604346 0.87 BRD4 (0.41) SPHK1KDM4EPKMBRD4ABCB1
SCHEMBL3618230 0.85 BRD4 (0.40) SPHK1KDM4EPKMBRD4ABCB1
SCHEMBL3618232 0.85 BRD4 (0.40) SPHK1KDM4EPKMBRD4ABCB1

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 5 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
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 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 (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 SPHK1 1971/4885KDM4E 2876/4885PKM 3125/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R SPHK1 1969/4885KDM4E 2950/4885PKM 3040/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R SPHK1 1971/4885KDM4E 2876/4885PKM 3125/4885

“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.