SCHEMBL1759920

SCHEMBL1759920

CC(CC[C@H]1COC(N)=N1)c1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.53
GRIA4 P48058 2/20 0.47
GRIA2 P42262 1/20 0.47
CYP2D6 P10635 1/20 0.46
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL1774031 1.00 TAAR1 (0.53) TAAR1GRIA4GRIA2CYP2D6NPC1
SCHEMBL1760229 0.87 TAAR1 (0.51) TAAR1CYP2D6NPC1RAB9ASMN1; SMN2
SCHEMBL1760224 0.87 TAAR1 (0.51) TAAR1CYP2D6NPC1RAB9ASMN1; SMN2
SCHEMBL1832209 0.82 TAAR1 (0.76) TAAR1CYP2D6
SCHEMBL7944265 0.82 TAAR1 (0.76) TAAR1CYP2D6
SCHEMBL1759924 0.78 MEN1 (0.51) TAAR1SMN1; SMN2
SCHEMBL1760023 0.77 TAAR1 (0.64) TAAR1
SCHEMBL1760021 0.77 TAAR1 (0.64) TAAR1
SCHEMBL1834562 0.76 TAAR1 (0.59) TAAR1
SCHEMBL1832022 0.76 TAAR1 (0.59) TAAR1

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 11 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
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
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US 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
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
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 US 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 TAAR1 1/4885GRIA4 140/4885GRIA2 275/4885

“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.