SCHEMBL2083757

SCHEMBL2083757

CCN(C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.38
GHSR Q92847 1/20 0.37
CNR2 P34972 1/20 0.37
GPR119 Q8TDV5 2/20 0.35
PPARA Q07869 1/20 0.34
BRD4 O60885 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
USP30 Q70CQ3 1/20 0.34
CETP P11597 1/20 0.33
TGFBR1 P36897 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
HSD11B2 P80365 1/20 0.33
STS P08842 1/20 0.33
KLK7 P49862 1/20 0.33
KEAP1 Q14145 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
SCHEMBL2083759 1.00 SPHK1 (0.38) SPHK1GHSRCNR2GPR119PPARA
SCHEMBL502844 0.92 SPHK1 (0.41) SPHK1GHSRGPR119BRD4KMT2A
SCHEMBL502843 0.92 SPHK1 (0.41) SPHK1GHSRGPR119BRD4KMT2A
SCHEMBL2082127 0.92 SPHK1 (0.41) SPHK1GHSRGPR119BRD4KMT2A
SCHEMBL2079206 0.86 SLC6A2 (0.40) SPHK1GPR119BRD4CETPJAK2
SCHEMBL2079201 0.86 SLC6A2 (0.40) SPHK1GPR119BRD4CETPJAK2
SCHEMBL2082536 0.86 GPR119 (0.36) SPHK1GHSRGPR119PPARABRD4
SCHEMBL2082537 0.86 GPR119 (0.36) SPHK1GHSRGPR119PPARABRD4
SCHEMBL3612306 0.82 SPHK1 (0.40) SPHK1GHSRGPR119BRD4L3MBTL1
SCHEMBL3612312 0.82 SPHK1 (0.40) SPHK1GHSRGPR119BRD4L3MBTL1

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 1861/4885GHSR 342/4885CNR2 67/4885

“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.