SCHEMBL4130230

SCHEMBL4130230

CC(C)(C)[Si](C)(C)OCc1c(-c2cccc(C#N)c2)ccc2c(CCC3CCN(C(=O)O)CC3)noc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.42
USP30 Q70CQ3 3/20 0.35
BCHE P06276 3/20 0.35
MGLL Q99685 1/20 0.34
MAP3K7 O43318 1/20 0.34
TAB1 Q15750 1/20 0.34
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33
CHRM4 P08173 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CHRM3 P20309 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
SCHEMBL4120665 0.92 CETP (0.39) ACHEUSP30MGLL
SCHEMBL4133186 0.89 ACHE (0.42) ACHEBCHE
SCHEMBL4134842 0.88 ACHE (0.46) ACHEUSP30BCHEMGLLMAP3K7
SCHEMBL4113344 0.87 ACHE (0.44) ACHEUSP30BCHEMGLLMAP3K7
SCHEMBL4132191 0.86 ACHE (0.38) ACHEBCHESCDSCD5
SCHEMBL4124730 0.85 ACHE (0.38) ACHEUSP30BCHE
Dimethylamine SCHEMBL4113352 0.83 ACHE (0.45) ACHEUSP30BCHEMAP3K7TAB1
SCHEMBL4128282 0.82 ACHE (0.39) ACHEBCHE
SCHEMBL4121129 0.82 CETP (0.41) ACHEUSP30MGLL
SCHEMBL13596327 0.82 KDM4E (0.41) 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 2 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
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 3716/4885USP30 4343/4885BCHE 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.