SCHEMBL2078385

SCHEMBL2078385

CC(C)(C)OC(=O)N1[C@H](CNc2ccccc2)COC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B2 P80365 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
SPHK1 Q9NYA1 1/20 0.41
BRD4 O60885 1/20 0.40
NAMPT P43490 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
TGFBR1 P36897 1/20 0.37
ACKR3 P25106 1/20 0.36
ABCB1 P08183 1/20 0.36
STS P08842 1/20 0.35
KDM1A O60341 1/20 0.35
RORC P51449 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 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
SCHEMBL2080856 1.00 HSD11B2 (0.42) HSD11B2KDM4EPKMSPHK1BRD4
SCHEMBL2078387 1.00 HSD11B2 (0.42) HSD11B2KDM4EPKMSPHK1BRD4
SCHEMBL2082316 0.87 BRD4 (0.43) HSD11B2PKMSPHK1BRD4STS
SCHEMBL2082319 0.87 BRD4 (0.43) HSD11B2PKMSPHK1BRD4STS
SCHEMBL2080224 0.85 BRD4 (0.42) HSD11B2KDM4EPKMSPHK1BRD4
SCHEMBL2080227 0.85 BRD4 (0.42) HSD11B2KDM4EPKMSPHK1BRD4
SCHEMBL3614064 0.84 KEAP1 (0.41) HSD11B2KDM4EPKMSPHK1BRD4
SCHEMBL3614066 0.84 KEAP1 (0.41) HSD11B2KDM4EPKMSPHK1BRD4
SCHEMBL13110173 0.84 KEAP1 (0.41) HSD11B2KDM4EPKMSPHK1BRD4
SCHEMBL16087487 0.83 HSD11B2 (0.39) HSD11B2KDM4EPKMSPHK1BRD4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121641-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
EP-2121641-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-7902238-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2011-03-08 US disclosed
US-7902238-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2011-03-08 US disclosed
US-7902238-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2011-03-08 US disclosed
EP-2121641-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS F. Hoffmann-Roche AG (CH) 2009-11-25 EP disclosed
US-20090105307-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-23 US disclosed
US-20090105307-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-23 US disclosed
US-20090105307-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-23 US disclosed
WO-2008098857-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-21 WO 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-20090105307-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPSR1 HSD11B2 1234/4885KDM4E 4041/4885PKM 2533/4885

“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.