SCHEMBL2529918

SCHEMBL2529918

CN(CC(c1ccc(OC(=O)c2ccc(C#N)cc2)cc1)c1nccn1C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
POLB P06746 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
GPR88 Q9GZN0 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
SCHEMBL2532604 0.91 CYP11B1 (0.36) ALDH1A1CYP1A2CYP2D6HIF1ASLC6A2
SCHEMBL2529260 0.91 SLC6A2 (0.42) ALDH1A1POLBSLC6A2SLC6A4SLC6A3
SCHEMBL2526970 0.91 CYP1A2 (0.38) ALDH1A1CYP1A2CYP2D6SLC6A2SLC6A4
SCHEMBL2527399 0.91 SLC6A2 (0.41) ALDH1A1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL2532739 0.90 HTT (0.36) ALDH1A1CYP1A2CYP2D6SLC6A2SLC6A4
SCHEMBL2533497 0.90 MAPT (0.41) ALDH1A1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL2528707 0.90 SLC6A2 (0.34) ALDH1A1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL2527012 0.90 TP53 (0.36) ALDH1A1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL2531002 0.90 KMT2A (0.37) ALDH1A1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL2525490 0.89 LMNA (0.46) ALDH1A1CYP1A2CYP2D6POLBMAPT

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 ALDH1A1 3248/4885CYP1A2 3947/4885CYP2D6 3868/4885

“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.