SCHEMBL6929567

SCHEMBL6929567

CC(C)(C)OC(=O)N[C@H](CO)NCCc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.48
CTSS P25774 3/20 0.48
CA2 P00918 4/20 0.46
CACNA1B Q00975 1/20 0.43
AAK1 Q2M2I8 5/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSB P07858 1/20 0.40
ATM Q13315 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CA1 P00915 1/20 0.38
FPR2 P25090 1/20 0.38

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
SCHEMBL6929733 0.84 CTSK (0.47) CTSKCTSSCA2CACNA1BAAK1
SCHEMBL12647558 0.84 CTSK (0.47) CTSKCTSSCA2CACNA1BAAK1
SCHEMBL1759778 0.80 CTSK (0.50) CTSKCTSSCA2CACNA1BAAK1
SCHEMBL1065312 0.78 CA2 (0.55) CTSKCTSSCA2MAPTNPC1
SCHEMBL30754110 0.77 NPC1 (0.47) CTSKCTSSCA2CACNA1BNPC1
SCHEMBL6832891 0.76 CTSS (0.58) CTSKCTSSCACNA1BAAK1ALDH1A1
SCHEMBL2617332 0.76 CTSS (0.58) CTSKCTSSCACNA1BAAK1ALDH1A1
SCHEMBL1760151 0.76 CTSK (0.52) CTSKCTSSCACNA1BNPC1RECQL
SCHEMBL17713482 0.74 CTSK (0.59) CTSKCTSSCACNA1BALDH1A1MAPT
SCHEMBL12647563 0.74 NPC1 (0.48) CTSKCTSSCACNA1BAAK1ALDH1A1

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 4 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
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 CTSK 3622/4885CTSS 3650/4885CA2 4255/4885

“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.