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Sugi Predict / Compounds / SCHEMBL2082664

SCHEMBL2082664

SCHEMBL2082664

CC(C)N(C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38
▸ BRD4 O60885 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.36
▸ HSD11B2 P80365 1/20 0.35
▸ GHSR Q92847 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ TACR1 P25103 3/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ PTPRB P23467 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ STS P08842 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
SCHEMBL2082667 1.00 SPHK1 (0.39) SPHK1TAAR1BRD4GPR119HSD11B2
SCHEMBL2082536 0.92 GPR119 (0.36) SPHK1BRD4GPR119HSD11B2GHSR
SCHEMBL2082537 0.92 GPR119 (0.36) SPHK1BRD4GPR119HSD11B2GHSR
SCHEMBL2081892 0.86 SPHK1 (0.41) SPHK1BRD4GPR119HSD11B2KDM4E
SCHEMBL2081890 0.86 SPHK1 (0.41) SPHK1BRD4GPR119HSD11B2KDM4E
SCHEMBL502844 0.84 SPHK1 (0.41) SPHK1TAAR1BRD4GPR119HSD11B2
SCHEMBL2082127 0.84 SPHK1 (0.41) SPHK1TAAR1BRD4GPR119HSD11B2
SCHEMBL502843 0.84 SPHK1 (0.41) SPHK1TAAR1BRD4GPR119HSD11B2
SCHEMBL2079201 0.82 SLC6A2 (0.40) SPHK1BRD4GPR119HSD11B2KDM4E
SCHEMBL2079206 0.82 SLC6A2 (0.40) SPHK1BRD4GPR119HSD11B2KDM4E

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 11 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
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 1861/4885TAAR1 1/4885BRD4 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.