SCHEMBL13758263

SCHEMBL13758263

CCC[C@H]1CN(CC(=O)c2cc(N(C)SC)c(O)c(C(C)(C)C)c2)/C(=N\Br)[C@@H]1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2R P25116 9/20 0.35
MAOB P27338 4/20 0.33
BCHE P06276 2/20 0.33
MAOA P21397 2/20 0.33
ACHE P22303 2/20 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
SCHEMBL13758289 0.89 F2R (0.34) F2RMAOBBCHEMAOAACHE
SCHEMBL13758419 0.84 F2R (0.34) F2RMAOBBCHEMAOAACHE
SCHEMBL13971123 0.83 F2R (0.36) F2RMAOBBCHEMAOAACHE
SCHEMBL13758251 0.82 F2R (0.42) F2RMAOBBCHEMAOAACHE
SCHEMBL13758367 0.82 F2R (0.31) F2R
SCHEMBL13758362 0.82 F2R (0.42) F2RMAOBBCHEMAOAACHE
SCHEMBL13758250 0.82 F2R (0.41) F2RMAOBBCHEMAOAACHE
SCHEMBL13758391 0.82 F2R (0.31) F2RMAOBBCHEMAOAACHE
SCHEMBL13758423 0.82 F2R (0.38) F2RMAOBBCHEMAOAACHE
SCHEMBL13758377 0.81 F2R (0.43) F2RMAOBBCHEMAOAACHE

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-20090215795-A1 CYCLIC AMIDINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-27 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-20090215795-A1 CYCLIC AMIDINE DERIVATIVES H1-10, H1-3, H1-4 F2R 1447/4885MAOB 2563/4885BCHE 1170/4885

“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.