SCHEMBL6930571

SCHEMBL6930571

CC(C)(C)OC(=O)N[C@H](CO)N/C=C/c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTSK P43235 4/20 0.42
CTSS P25774 2/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
AAK1 Q2M2I8 7/20 0.39
CACNA1B Q00975 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CTSB P07858 1/20 0.35

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
SCHEMBL12647563 1.00 NPC1 (0.48) NPC1RECQLRAB9ASMN1; SMN2CTSK
SCHEMBL6930579 0.81 NPC1 (0.48) NPC1RECQLRAB9ASMN1; SMN2CTSK
SCHEMBL1773796 0.80 NPC1 (0.50) NPC1RECQLRAB9ASMN1; SMN2CTSK
SCHEMBL1773795 0.80 NPC1 (0.50) NPC1RECQLRAB9ASMN1; SMN2CTSK
SCHEMBL5021240 0.76 NPC1 (0.51) NPC1RECQLRAB9ASMN1; SMN2CTSK
SCHEMBL3819136 0.74 CTSS (0.54) NPC1RECQLRAB9ASMN1; SMN2CTSK
SCHEMBL3819131 0.74 CTSS (0.54) NPC1RECQLRAB9ASMN1; SMN2CTSK
SCHEMBL6929567 0.74 CTSK (0.48) NPC1RECQLRAB9ASMN1; SMN2CTSK
SCHEMBL13897570 0.73 CTSK (0.50) NPC1RECQLRAB9ASMN1; SMN2CTSK
SCHEMBL1554097 0.72 CTSS (0.48) NPC1RECQLRAB9ASMN1; SMN2CTSK

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 3 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
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 NPC1 785/4885RECQL 1422/4885RAB9A 2356/4885

“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.