SCHEMBL2079206

SCHEMBL2079206

CC(C)(C)OC(=O)N1C(CN(Cc2ccccc2)c2ccccc2)COC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
PTPRB P23467 1/20 0.37
PTPN11 Q06124 1/20 0.37
BRD4 O60885 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KLK7 P49862 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
CETP P11597 1/20 0.35
AKT1 P31749 2/20 0.35
HSD11B2 P80365 1/20 0.35
STS P08842 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PKM P14618 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
SCHEMBL2079201 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3JAK2JAK1
SCHEMBL502844 0.90 SPHK1 (0.41) SPHK1BRD4GPR119HSD11B2KDM4E
SCHEMBL2082127 0.90 SPHK1 (0.41) SPHK1BRD4GPR119HSD11B2KDM4E
SCHEMBL502843 0.90 SPHK1 (0.41) SPHK1BRD4GPR119HSD11B2KDM4E
SCHEMBL2083759 0.86 SPHK1 (0.38) JAK2JAK1SPHK1BRD4KLK7
SCHEMBL2083757 0.86 SPHK1 (0.38) JAK2JAK1SPHK1BRD4KLK7
SCHEMBL3612306 0.86 SPHK1 (0.40) JAK2JAK1SPHK1PTPRBPTPN11
SCHEMBL3612312 0.86 SPHK1 (0.40) JAK2JAK1SPHK1PTPRBPTPN11
SCHEMBL2081892 0.85 SPHK1 (0.41) JAK2JAK1SPHK1BRD4GPR119
SCHEMBL2081890 0.85 SPHK1 (0.41) JAK2JAK1SPHK1BRD4GPR119

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 SLC6A2 18/4885SLC6A4 116/4885SLC6A3 30/4885

“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.