SCHEMBL1759778

SCHEMBL1759778

CC(C)(C)OC(=O)N[C@H](CO)CCc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.50
CTSS P25774 3/20 0.50
AAK1 Q2M2I8 6/20 0.46
CACNA1B Q00975 1/20 0.44
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 1/20 0.40
CA2 P00918 2/20 0.40
CTSB P07858 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL21409066 0.87 CTSK (0.50) CTSKCTSSAAK1ATMKMT2A
SCHEMBL31751716 0.87 PPARG (0.48) CTSKCTSSAAK1CACNA1BATM
SCHEMBL21409069 0.87 CTSK (0.50) CTSKCTSSAAK1ATMKMT2A
SCHEMBL6832891 0.86 CTSS (0.58) CTSKCTSSAAK1CACNA1BATM
SCHEMBL14338698 0.86 CTSK (0.59) CTSKCTSSATMCTSBPPARG
SCHEMBL3842588 0.86 CTSK (0.59) CTSKCTSSATMCTSBPPARG
SCHEMBL2617332 0.86 CTSS (0.58) CTSKCTSSAAK1CACNA1BATM
SCHEMBL7696221 0.86 CTSK (0.59) CTSKCTSSATMCTSBPPARG
SCHEMBL16384160 0.85 PPARA (0.50) CTSKCTSSATMKMT2ACA2
SCHEMBL5479821 0.84 CTSK (0.47) CTSKCTSS

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 13 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-2635560-B1 DIHYDROOXAZOL-2-AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-09-30 EP disclosed
US-8673950-B2 Dihydrooxazol-2-amine derivatives HOFFMANN-LAROCHE INC. (US) 2014-03-18 US disclosed
US-8673950-B2 Dihydrooxazol-2-amine derivatives HOFFMANN-LAROCHE INC. (US) 2014-03-18 US disclosed
US-20130345241-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-12-26 US disclosed
EP-2635560-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-09-11 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-2012059371-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-05-10 WO disclosed
US-20120108609-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-05-03 US disclosed
US-20120108609-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-05-03 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 (3 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-20120108609-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES TAAR1, TAAR5, HCRTR1 CTSK 2947/4885CTSS 3667/4885AAK1 699/4885
US-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R CTSK 3622/4885CTSS 3650/4885AAK1 873/4885
US-20130345241-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES TAAR1, TAAR5, HCRTR1 CTSK 2850/4885CTSS 3618/4885AAK1 712/4885

“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.