SCHEMBL1280969

SCHEMBL1280969

COC(=O)c1ccccc1OC[C@@H]1CN(C(=O)OC(C)(C)C)CCO[C@H]1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 6/20 0.47
EPHB4 P54760 3/20 0.47
ERBB2 P04626 1/20 0.47
SLC6A2 P23975 6/20 0.39
SLC6A4 P31645 6/20 0.39
SLC6A3 Q01959 3/20 0.38
KDR P35968 2/20 0.38
DRD4 P21917 1/20 0.38
SCN9A Q15858 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37

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
SCHEMBL1279962 1.00 EPHA2 (0.47) EPHA2EPHB4ERBB2SLC6A2SLC6A4
SCHEMBL12469220 0.92 EPHA2 (0.44) EPHA2EPHB4ERBB2SLC6A2SLC6A4
SCHEMBL12469221 0.92 EPHA2 (0.44) EPHA2EPHB4ERBB2SLC6A2SLC6A4
SCHEMBL1280939 0.92 EPHA2 (0.44) EPHA2EPHB4ERBB2SLC6A2SLC6A4
SCHEMBL15303426 0.89 SLC6A2 (0.41) EPHA2EPHB4SLC6A2SLC6A4SLC6A3
SCHEMBL15303424 0.89 SLC6A2 (0.41) EPHA2EPHB4SLC6A2SLC6A4SLC6A3
SCHEMBL15303698 0.89 SLC6A2 (0.41) EPHA2EPHB4SLC6A2SLC6A4SLC6A3
SCHEMBL15303433 0.89 SLC6A2 (0.41) EPHA2EPHB4SLC6A2SLC6A4SLC6A3
SCHEMBL1280270 0.88 SCN9A (0.48) EPHA2EPHB4ERBB2SCN9A
SCHEMBL1279850 0.85 EPHA2 (0.46) EPHA2EPHB4ERBB2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088748-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-12 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-20120088748-A1 HETEROCYCLIC COMPOUNDS SLC6A2, MAOB, MAOA EPHA2 3808/4885EPHB4 1827/4885ERBB2 2516/4885

“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.