SCHEMBL4125592

SCHEMBL4125592

CC=Cc1c2ccccc2cc2c(CCC3CCNCC3)noc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.38
SLC6A4 P31645 4/20 0.37
BCHE P06276 1/20 0.34
KHK P50053 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 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
SCHEMBL4127336 1.00 ACHE (0.38) ACHESLC6A4BCHEKHKSLC6A2
SCHEMBL4125588 1.00 ACHE (0.38) ACHESLC6A4BCHEKHKSLC6A2
SCHEMBL13596121 0.87 ACHE (0.43) ACHEBCHE
SCHEMBL4126903 0.80 ACHE (0.38) ACHESLC6A4BCHETLR9TLR8
SCHEMBL4115558 0.79 KDM4E (0.40) ACHE
SCHEMBL4113681 0.79 KDM4E (0.40) ACHE
SCHEMBL4113687 0.79 KDM4E (0.40) ACHE
SCHEMBL13596028 0.78 ACHE (0.45) ACHESLC6A4BCHEKHKTLR9
SCHEMBL13596076 0.78 ACHE (0.35) ACHESLC6A4BCHEKHK
SCHEMBL4127493 0.77 ACHE (0.44) ACHEBCHE

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 3 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
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 3716/4885SLC6A4 1398/4885BCHE 2215/4885

“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.