SCHEMBL2526892

SCHEMBL2526892

CN(CC(c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1nccn1C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.32
CCR5 P51681 1/20 0.32
ALDH1A1 P00352 2/20 0.32
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32
KAT6A Q92794 1/20 0.31
KAT5 Q92993 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
FFAR1 O14842 3/20 0.31
TMPRSS15 P98073 2/20 0.31
KMT2A Q03164 1/20 0.30
TACR2 P21452 1/20 0.30

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
SCHEMBL2532739 0.91 HTT (0.36) MAPTHTTALDH1A1SLC6A2SLC6A4
SCHEMBL2525027 0.90 MAPT (0.41) MAPTALDH1A1AURKARPS6KB1KMT2A
SCHEMBL2530502 0.90 AURKA (0.32) HTTAURKARPS6KB1KAT6AKAT5
SCHEMBL2531611 0.89 KDM4E (0.39) MAPTALDH1A1AURKARPS6KB1SLC6A2
SCHEMBL2529260 0.88 SLC6A2 (0.42) MAPTALDH1A1AURKARPS6KB1SLC6A2
SCHEMBL2526970 0.88 CYP1A2 (0.38) MAPTALDH1A1AURKARPS6KB1SLC6A2
SCHEMBL2527399 0.88 SLC6A2 (0.41) MAPTALDH1A1AURKARPS6KB1SLC6A2
SCHEMBL2527638 0.88 SLC6A4 (0.33) MAPTALDH1A1AURKARPS6KB1SLC6A2
SCHEMBL2529211 0.88 FFAR1 (0.34) AURKARPS6KB1KAT6AKAT5FFAR1
SCHEMBL2531002 0.87 KMT2A (0.37) MAPTALDH1A1AURKARPS6KB1SLC6A2

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 MAPT 2834/4885HTT 614/4885CCR5 771/4885

“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.