SCHEMBL3620978

SCHEMBL3620978

N[C@@H](Cc1c(F)cccc1C(F)(F)F)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.45
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
GRB2 P62993 1/20 0.43
KIF11 P52732 2/20 0.42
TPH1 P17752 1/20 0.41
PTPN1 P18031 2/20 0.40
STIM1 Q13586 1/20 0.40
ORAI1 Q96D31 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 1/20 0.39
GNRHR P30968 3/20 0.39
CYP3A4 P08684 1/20 0.39
PTGS2 P35354 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
SCHEMBL188588 0.85 SLC7A5 (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL188587 0.85 SLC7A5 (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL20514005 0.85 SLC7A5 (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL6780117 0.79 GRM8 (0.46) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL3622031 0.78 KDM4E (0.51) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL20889265 0.78 SLC7A5 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL1660868 0.77 NOS3 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL1660865 0.77 NOS3 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL503201 0.76 PPARG (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL42976 0.76 PPARG (0.53) SLC7A5ALPIPKMPTGS1XIAP

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 SLC7A5 1047/4885ALPI 997/4885PKM 3125/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R SLC7A5 848/4885ALPI 1028/4885PKM 3040/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R SLC7A5 1047/4885ALPI 997/4885PKM 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.