SCHEMBL2082390

SCHEMBL2082390

CCNC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.51
HSD11B2 P80365 1/20 0.42
BRD4 O60885 1/20 0.38
HCRTR2 O43614 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
NAMPT P43490 2/20 0.32
GPR119 Q8TDV5 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
USP2 O75604 1/20 0.31
NR1H2 P55055 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL2082395 1.00 SPHK1 (0.51) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL18290257 0.86 SPHK1 (0.47) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL7494707 0.86 SPHK1 (0.43) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL7506014 0.86 SPHK1 (0.43) SPHK1HSD11B2BRD4HCRTR2SMN1; SMN2
SCHEMBL7503893 0.86 SPHK1 (0.43) SPHK1HSD11B2BRD4HCRTR2SMN1; SMN2
SCHEMBL26468958 0.85 SPHK1 (0.53) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL20621505 0.85 SPHK1 (0.53) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL6125269 0.85 SPHK1 (0.53) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL16325799 0.83 SPHK1 (0.49) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL13613722 0.83 SPHK1 (0.49) SPHK1HSD11B2BRD4HCRTR2CHRM2

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 5 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
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
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 SPHK1 1861/4885HSD11B2 1234/4885BRD4 2730/4885

“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.