SCHEMBL1281808

SCHEMBL1281808

CC(C)(C)OC(=O)N1CCO[C@H](CN2CCCNC2=O)[C@H](c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
ERBB2 P04626 1/20 0.39
EPHA2 P29317 1/20 0.39
EPHB4 P54760 1/20 0.39
TACR3 P29371 1/20 0.37
PDE4B Q07343 7/20 0.36
OPRK1 P41145 1/20 0.35
KDM1A O60341 1/20 0.35
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34

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
SCHEMBL15303303 0.87 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL1280403 0.86 ERBB2 (0.39) SLC6A2SLC6A4SLC6A3ERBB2EPHA2
SCHEMBL1280069 0.84 ERBB2 (0.43) SLC6A2SLC6A4SLC6A3ERBB2EPHA2
SCHEMBL1279577 0.84 ERBB2 (0.43) SLC6A2SLC6A4SLC6A3ERBB2EPHA2
SCHEMBL1281223 0.84 ERBB2 (0.43) SLC6A2SLC6A4SLC6A3ERBB2EPHA2
SCHEMBL1280414 0.84 ERBB2 (0.43) SLC6A2SLC6A4SLC6A3ERBB2EPHA2
SCHEMBL1279913 0.84 ERBB2 (0.43) SLC6A2SLC6A4SLC6A3ERBB2EPHA2
SCHEMBL1281154 0.83 ERBB2 (0.42) SLC6A2SLC6A4SLC6A3ERBB2EPHA2
SCHEMBL1280565 0.83 ERBB2 (0.42) SLC6A2SLC6A4SLC6A3ERBB2EPHA2
SCHEMBL1281170 0.83 EPHA2 (0.45) SLC6A2SLC6A4SLC6A3ERBB2EPHA2

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 SLC6A2 1/4885SLC6A4 5/4885SLC6A3 4/4885

“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.