SCHEMBL1280403

SCHEMBL1280403

CN1CCCN(C[C@H]2OCCN(C(=O)OC(C)(C)C)C[C@H]2c2ccc(Cl)c(Cl)c2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.39
EPHA2 P29317 1/20 0.39
EPHB4 P54760 1/20 0.39
PDE4B Q07343 7/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 1/20 0.36
OPRK1 P41145 1/20 0.35
TACR3 P29371 1/20 0.35
KDM1A O60341 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL15303281 0.88 SLC6A4 (0.37) SLC6A4SLC6A3SLC6A2
SCHEMBL1281808 0.86 SLC6A2 (0.41) ERBB2EPHA2EPHB4PDE4BSLC6A4
SCHEMBL1280069 0.84 ERBB2 (0.43) ERBB2EPHA2EPHB4PDE4BSLC6A4
SCHEMBL1280414 0.84 ERBB2 (0.43) ERBB2EPHA2EPHB4PDE4BSLC6A4
SCHEMBL1279913 0.84 ERBB2 (0.43) ERBB2EPHA2EPHB4PDE4BSLC6A4
SCHEMBL1279577 0.84 ERBB2 (0.43) ERBB2EPHA2EPHB4PDE4BSLC6A4
SCHEMBL1281223 0.84 ERBB2 (0.43) ERBB2EPHA2EPHB4PDE4BSLC6A4
SCHEMBL1280565 0.83 ERBB2 (0.42) ERBB2EPHA2EPHB4PDE4BSLC6A4
SCHEMBL1281154 0.83 ERBB2 (0.42) ERBB2EPHA2EPHB4PDE4BSLC6A4
SCHEMBL1281170 0.83 EPHA2 (0.45) ERBB2EPHA2EPHB4PDE4BSLC6A4

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 ERBB2 2516/4885EPHA2 3808/4885EPHB4 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.