SCHEMBL3607845

SCHEMBL3607845

NC(C(=O)O)C(Cc1ccccc1)C1=COCO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.49
SLC1A2 P43004 4/20 0.49
SLC1A1 P43005 4/20 0.49
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 1/20 0.45
CYP1A2 P05177 2/20 0.40
SLC15A1 P46059 1/20 0.40
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SRR Q9GZT4 2/20 0.39
LTA4H P09960 1/20 0.38
ANPEP P15144 2/20 0.37
RNPEP Q9H4A4 1/20 0.37
DNPEP Q9ULA0 1/20 0.37

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
SCHEMBL4619739 0.84 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL1462830 0.80 CYP1A2 (0.44) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL4888830 0.79 EPHX1 (0.38) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL4869728 0.77 EPHX1 (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2466830 0.77 EPHX1 (0.55) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL7834960 0.77 PPARG (0.45) SLC1A2
SCHEMBL2903454 0.76 TAAR1 (0.40) MEN1CYP2D6KMT2A
SCHEMBL506238 0.76 LMNA (0.37) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3563505 0.75 MIF (0.43) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL2472950 0.75 EPHX1 (0.36) SLC1A3SLC1A2SLC1A1ALPIPKM

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 SLC1A3 169/4885SLC1A2 17/4885SLC1A1 73/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R SLC1A3 157/4885SLC1A2 13/4885SLC1A1 74/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R SLC1A3 169/4885SLC1A2 17/4885SLC1A1 73/4885

“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.