SCHEMBL1280867

SCHEMBL1280867

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 2/20 0.42
ERBB2 P04626 1/20 0.42
EPHB4 P54760 1/20 0.42
TACR3 P29371 1/20 0.40
PDE4B Q07343 6/20 0.39
KDM1A O60341 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
OPRK1 P41145 1/20 0.37
RORC P51449 1/20 0.36
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
MC4R P32245 1/20 0.36
STS P08842 1/20 0.36
DPP4 P27487 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
SCHEMBL1281278 1.00 EPHA2 (0.42) EPHA2ERBB2EPHB4TACR3PDE4B
SCHEMBL1280039 0.94 EPHA2 (0.41) EPHA2ERBB2EPHB4TACR3PDE4B
SCHEMBL1279893 0.92 EPHA2 (0.45) EPHA2ERBB2EPHB4TACR3PDE4B
SCHEMBL1280304 0.92 EPHA2 (0.45) EPHA2ERBB2EPHB4TACR3PDE4B
SCHEMBL1281170 0.92 EPHA2 (0.45) EPHA2ERBB2EPHB4TACR3PDE4B
SCHEMBL1281706 0.90 EPHA2 (0.42) EPHA2ERBB2EPHB4TACR3PDE4B
SCHEMBL1280481 0.90 ERBB2 (0.41) EPHA2ERBB2EPHB4TACR3PDE4B
SCHEMBL1279913 0.89 ERBB2 (0.43) EPHA2ERBB2EPHB4TACR3PDE4B
SCHEMBL1280414 0.89 ERBB2 (0.43) EPHA2ERBB2EPHB4TACR3PDE4B
SCHEMBL1281223 0.89 ERBB2 (0.43) EPHA2ERBB2EPHB4TACR3PDE4B

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 3808/4885ERBB2 2516/4885EPHB4 1827/4885

“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.