SCHEMBL4115142

SCHEMBL4115142

CN(C)Cc1c(OCc2ccccn2)ccc2c(CCC3CCNCC3)noc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.39
MAP4K3 Q8IVH8 1/20 0.36
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
CNR2 P34972 1/20 0.34
SLC6A4 P31645 1/20 0.34
BCHE P06276 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
SYK P43405 2/20 0.33
P2RY12 Q9H244 1/20 0.33
PRKDC P78527 1/20 0.33
ALOX5AP P20292 1/20 0.32

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
SCHEMBL4121186 0.89 ACHE (0.44) ACHESLC6A4BCHE
SCHEMBL4122843 0.88 ACHE (0.38) ACHESLC6A4BCHETLR9TLR8
SCHEMBL4127339 0.86 ACHE (0.44) ACHEBCHEPPARGPPARAP2RY12
SCHEMBL4113052 0.85 ACHE (0.59) ACHEBCHE
SCHEMBL13596019 0.85 ACHE (0.45) ACHESLC6A4BCHETLR9TLR8
SCHEMBL4132948 0.85 PDE3B (0.40) ACHEMAP4K3CNR2SLC6A4BCHE
Hydrochloric Acid SCHEMBL4120408 0.85 ACHE (0.58) ACHEBCHE
SCHEMBL4116955 0.85 ACHE (0.37) ACHEBCHETLR9TLR8TLR7
SCHEMBL4121919 0.84 ACHE (0.35) ACHEBCHETLR9TLR8TLR7
SCHEMBL4121137 0.84 ACHE (0.44) ACHEBCHEPPARGPPARA

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-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 ACHE 3716/4885MAP4K3 2713/4885GABRA1 7/4885

“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.