SCHEMBL2532097

SCHEMBL2532097

CN(CC(O)c1ccc(OC(=O)c2ccc(F)cc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.42
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KMT2A Q03164 4/20 0.38
MAPT P10636 1/20 0.38
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.37
ELANE P08246 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
BCHE P06276 1/20 0.36
ATM Q13315 1/20 0.36
PRSS1 P07477 1/20 0.36
ACR P10323 1/20 0.36

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
SCHEMBL2525770 0.89 KMT2A (0.43) AOC3SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL2525522 0.89 MAPT (0.49) SLC6A2SLC6A4SLC6A3KMT2AMAPT
SCHEMBL2531521 0.89 SLC6A2 (0.39) AOC3SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL2529638 0.89 KMT2A (0.41) AOC3SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL2525241 0.89 KMT2A (0.51) SLC6A2SLC6A4SLC6A3KMT2AMAPT
SCHEMBL2528205 0.88 AURKA (0.39) AOC3SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL5350824 0.88 AOC3 (0.53) AOC3SLC6A4ADRB2ADRB1ADRB3
SCHEMBL5361268 0.88 AOC3 (0.53) AOC3SLC6A4ADRB2ADRB1ADRB3
SCHEMBL5360820 0.88 AOC3 (0.53) AOC3SLC6A4ADRB2ADRB1ADRB3
SCHEMBL2531401 0.87 ESR1 (0.46) SLC6A2SLC6A4SLC6A3KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039501-B2 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2011-10-18 US disclosed
US-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2009-01-29 US 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-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents HRH1, HRH3, HRH2 AOC3 2105/4885SLC6A2 3571/4885SLC6A4 3465/4885

“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.