SCHEMBL12469221

SCHEMBL12469221

CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H](COc2ccccc2C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 4/20 0.44
ERBB2 P04626 1/20 0.44
EPHB4 P54760 1/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ABCB1 P08183 1/20 0.38
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37
DRD4 P21917 1/20 0.37
SCN9A Q15858 1/20 0.37
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 2/20 0.36
POLB P06746 1/20 0.36
HTR6 P50406 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL1280939 1.00 EPHA2 (0.44) EPHA2ERBB2EPHB4MEN1KMT2A
SCHEMBL12469220 1.00 EPHA2 (0.44) EPHA2ERBB2EPHB4MEN1KMT2A
SCHEMBL1280969 0.92 EPHA2 (0.47) EPHA2ERBB2EPHB4SLC5A1SLC5A2
SCHEMBL1279962 0.92 EPHA2 (0.47) EPHA2ERBB2EPHB4SLC5A1SLC5A2
SCHEMBL1280270 0.88 SCN9A (0.48) EPHA2ERBB2EPHB4SCN9A
SCHEMBL1279850 0.85 EPHA2 (0.46) EPHA2ERBB2EPHB4SLC5A1SLC5A2
SCHEMBL15303273 0.84 EPHA2 (0.42) EPHA2ERBB2EPHB4SLC5A1SLC5A2
SCHEMBL15303274 0.84 EPHA2 (0.42) EPHA2ERBB2EPHB4SLC5A1SLC5A2
SCHEMBL1281254 0.83 ERBB2 (0.42) EPHA2ERBB2EPHB4SLC6A2SLC6A4
SCHEMBL1280369 0.83 SLC6A2 (0.48) EPHA2ERBB2EPHB4SLC5A1SLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722662-B2 Heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
US-20130267494-A1 1,4-OXAZEPANE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-10 US disclosed
EP-2625170-A1 1,4-OXAZEPANE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2013-08-14 EP disclosed
WO-2012046882-A1 1,4-OXAZEPANE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-12 WO 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-20130267494-A1 1,4-OXAZEPANE DERIVATIVES MAOB, SLC6A4, SLC6A2 EPHA2 1397/4885ERBB2 1611/4885EPHB4 498/4885

“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.