SCHEMBL2531002

SCHEMBL2531002

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
MAPT P10636 2/20 0.37
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
ATM Q13315 1/20 0.33
AURKA O14965 4/20 0.32
RPS6KB1 P23443 4/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
TMPRSS15 P98073 1/20 0.32
ELANE P08246 1/20 0.31
KDM4E B2RXH2 1/20 0.31
FFAR1 O14842 2/20 0.31
GPR88 Q9GZN0 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31

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
SCHEMBL2526970 0.92 CYP1A2 (0.38) KMT2AMAPTSLC6A2SLC6A4SLC6A3
SCHEMBL2529260 0.92 SLC6A2 (0.42) KMT2AMAPTSLC6A2SLC6A4SLC6A3
SCHEMBL2527399 0.92 SLC6A2 (0.41) KMT2AMAPTSLC6A2SLC6A4SLC6A3
SCHEMBL2525222 0.92 FFAR1 (0.37) KMT2AMAPTSLC6A2SLC6A4SLC6A3
SCHEMBL2533497 0.91 MAPT (0.41) KMT2AMAPTSLC6A2SLC6A4SLC6A3
SCHEMBL2532739 0.91 HTT (0.36) KMT2AMAPTSLC6A2SLC6A4SLC6A3
SCHEMBL2528707 0.91 SLC6A2 (0.34) KMT2AMAPTSLC6A2SLC6A4SLC6A3
SCHEMBL2527012 0.91 TP53 (0.36) KMT2AMAPTSLC6A2SLC6A4SLC6A3
SCHEMBL2528934 0.90 ESR1 (0.39) KMT2AMAPTSLC6A2SLC6A4SLC6A3
SCHEMBL2529918 0.90 ALDH1A1 (0.37) KMT2AMAPTSLC6A2SLC6A4SLC6A3

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 KMT2A 2317/4885MAPT 2834/4885SLC6A2 3571/4885

“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.