SCHEMBL2525345

SCHEMBL2525345

CN(CC(c1ccc(OC(=O)c2ccc(-c3cccs3)cc2)cc1)c1nccn1C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
GPR119 Q8TDV5 1/20 0.35
FFAR1 O14842 5/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA6 Q16445 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2527399 0.88 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KMT2AL3MBTL1
SCHEMBL2525274 0.87 GBA1 (0.39) GBA1FFAR1MAPTAURKARPS6KB1
SCHEMBL2526970 0.86 CYP1A2 (0.38) FFAR1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL2529260 0.86 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KMT2AL3MBTL1
SCHEMBL2525222 0.86 FFAR1 (0.37) FFAR1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL2532739 0.86 HTT (0.36) FFAR1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL2527012 0.86 TP53 (0.36) SLC6A2SLC6A4SLC6A3KMT2AL3MBTL1
SCHEMBL2531002 0.86 KMT2A (0.37) FFAR1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL2533497 0.86 MAPT (0.41) SLC6A2SLC6A4SLC6A3KMT2AL3MBTL1
SCHEMBL2528707 0.86 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3KMT2AL3MBTL1

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 GBA1 2362/4885GPR119 147/4885FFAR1 60/4885

“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.