Sugi Predict

Sugi Predict / Compounds / SCHEMBL3612306

SCHEMBL3612306

SCHEMBL3612306

CCN(Cc1ccccc1)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ AKT1 P31749 2/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ GHSR Q92847 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PTPRB P23467 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ CETP P11597 1/20 0.35
▸ HSD11B2 P80365 1/20 0.35
▸ STS P08842 1/20 0.35
▸ KLK7 P49862 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RORC P51449 1/20 0.34

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
SCHEMBL3612312 1.00 SPHK1 (0.40) SPHK1JAK2JAK1AKT1GPR119
SCHEMBL7499187 0.89 SPHK1 (0.37) SPHK1JAK2JAK1AKT1GPR119
SCHEMBL7499191 0.89 SPHK1 (0.37) SPHK1JAK2JAK1AKT1GPR119
SCHEMBL6719410 0.89 SPHK1 (0.37) SPHK1JAK2JAK1AKT1GPR119
SCHEMBL2079201 0.86 SLC6A2 (0.40) SPHK1JAK2JAK1AKT1GPR119
SCHEMBL2079206 0.86 SLC6A2 (0.40) SPHK1JAK2JAK1AKT1GPR119
SCHEMBL502844 0.83 SPHK1 (0.41) SPHK1GPR119GHSRBRD4HSD11B2
SCHEMBL2082127 0.83 SPHK1 (0.41) SPHK1GPR119GHSRBRD4HSD11B2
SCHEMBL502843 0.83 SPHK1 (0.41) SPHK1GPR119GHSRBRD4HSD11B2
SCHEMBL2083757 0.82 SPHK1 (0.38) SPHK1JAK2JAK1GPR119GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114906-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2014-08-06 — — EP disclosed
US-8604061-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2013-12-10 — — US disclosed
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO (DE) 2012-08-02 — — US disclosed
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO 2010-05-13 — — US disclosed
EP-2114906-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. Hoffmann-Roche AG (CH) 2009-11-11 — — EP disclosed
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 — — US disclosed
WO-2008092785-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 — — 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 (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-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R SPHK1 1971/4885JAK2 898/4885JAK1 1097/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R SPHK1 1969/4885JAK2 899/4885JAK1 1217/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R SPHK1 1971/4885JAK2 898/4885JAK1 1097/4885

“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.