SCHEMBL2081892

SCHEMBL2081892

CN(CC1COC(C)(C)N1C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.41
BRD4 O60885 1/20 0.38
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
KDM1A O60341 1/20 0.36
HSD11B2 P80365 1/20 0.36
ABCB1 P08183 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
NAMPT P43490 1/20 0.34
RORC P51449 2/20 0.34
USP30 Q70CQ3 1/20 0.34
DPP4 P27487 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
LIMK2 P53671 1/20 0.33

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
SCHEMBL2081890 1.00 SPHK1 (0.41) SPHK1BRD4KDM4EPKMKDM1A
SCHEMBL502843 0.87 SPHK1 (0.41) SPHK1BRD4KDM4EPKMHSD11B2
SCHEMBL2082127 0.87 SPHK1 (0.41) SPHK1BRD4KDM4EPKMHSD11B2
SCHEMBL502844 0.87 SPHK1 (0.41) SPHK1BRD4KDM4EPKMHSD11B2
SCHEMBL2082664 0.86 SPHK1 (0.39) SPHK1BRD4KDM4EPKMHSD11B2
SCHEMBL2082667 0.86 SPHK1 (0.39) SPHK1BRD4KDM4EPKMHSD11B2
SCHEMBL2079201 0.85 SLC6A2 (0.40) SPHK1BRD4KDM4EPKMHSD11B2
SCHEMBL2079206 0.85 SLC6A2 (0.40) SPHK1BRD4KDM4EPKMHSD11B2
SCHEMBL3612312 0.81 SPHK1 (0.40) SPHK1BRD4KDM4EPKMHSD11B2
SCHEMBL3612306 0.81 SPHK1 (0.40) SPHK1BRD4KDM4EPKMHSD11B2

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 1861/4885BRD4 2730/4885KDM4E 4041/4885

“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.