SCHEMBL1759802

SCHEMBL1759802

N[C@@H](/C=C/c1ccc([N+](=O)[O-])cc1)CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.51
FBP1 P09467 2/20 0.50
GRIK1 P39086 1/20 0.49
GRIK2 Q13002 1/20 0.49
PTGS2 P35354 4/20 0.49
PTGS1 P23219 1/20 0.49
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
CYP19A1 P11511 1/20 0.45
MAOB P27338 5/20 0.44
BCHE P06276 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43

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
SCHEMBL1772975 1.00 APP (0.51) APPFBP1GRIK1GRIK2PTGS2
SCHEMBL1772978 1.00 APP (0.51) APPFBP1GRIK1GRIK2PTGS2
SCHEMBL7413122 0.77 MAPT (0.52) APPFBP1GRIK1GRIK2NPC1
SCHEMBL7413123 0.77 MAPT (0.52) APPFBP1GRIK1GRIK2NPC1
SCHEMBL7413125 0.77 MAPT (0.52) APPFBP1GRIK1GRIK2NPC1
SCHEMBL12973308 0.76 PTGS2 (0.59) APPFBP1PTGS2PTGS1NPC1
Hydrochloric Acid SCHEMBL7458910 0.76 MAPT (0.51) APPFBP1GRIK1GRIK2NPC1
SCHEMBL458178 0.74 APP (0.78) APPFBP1PTGS2PTGS1NPC1
SCHEMBL14947048 0.74 APP (0.78) APPFBP1PTGS2PTGS1NPC1
SCHEMBL458177 0.74 APP (0.78) APPFBP1PTGS2PTGS1NPC1

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-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 EP disclosed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2499121-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. F. Hoffmann-La Roche AG (CH) 2012-09-19 EP disclosed
WO-2011057973-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 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 (1 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-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R APP 82/4885FBP1 3019/4885GRIK1 395/4885

“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.