SCHEMBL1836673

SCHEMBL1836673

CO[C@@H](CCC(N)CO)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.51
ADRB2 P07550 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
UTS2R Q9UKP6 4/20 0.36
SLC6A4 P31645 3/20 0.35
GAA P10253 1/20 0.35
SLC6A2 P23975 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL1834085 1.00 AOC3 (0.51) AOC3ADRB2L3MBTL1GRIN2DGRIN3B
SCHEMBL1836675 1.00 AOC3 (0.51) AOC3ADRB2L3MBTL1GRIN2DGRIN3B
SCHEMBL1155354 0.81 AOC3 (0.58) AOC3ADRB2L3MBTL1UTS2RSLC6A4
SCHEMBL639984 0.78 AOC3 (0.51) AOC3ADRB2UTS2RSLC6A4GAA
SCHEMBL3650398 0.78 AOC3 (0.59) AOC3ADRB2UTS2RSLC6A4SLC6A2
SCHEMBL21198899 0.78 AOC3 (0.59) AOC3ADRB2UTS2RSLC6A4SLC6A2
SCHEMBL21199033 0.78 AOC3 (0.59) AOC3ADRB2UTS2RSLC6A4SLC6A2
SCHEMBL25946284 0.78 AOC3 (0.59) AOC3ADRB2L3MBTL1UTS2RSLC6A4
SCHEMBL5662767 0.75 AOC3 (0.56) AOC3ADRB2UTS2RSLC6A4GAA
SCHEMBL3685753 0.74 AOC3 (0.54) AOC3ADRB2UTS2RSLC6A4GAA

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 10 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
US-8729113-B2 4,5-dihydro-oxazol-2yl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-20 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 AOC3 744/4885ADRB2 50/4885L3MBTL1 3231/4885
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R AOC3 744/4885ADRB2 50/4885L3MBTL1 3231/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R AOC3 744/4885ADRB2 50/4885L3MBTL1 3231/4885
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R AOC3 744/4885ADRB2 50/4885L3MBTL1 3231/4885

“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.