SCHEMBL4134842

SCHEMBL4134842

N#Cc1cccc(-c2ccc3c(CCC4CCN(C(=O)O)CC4)noc3c2CO)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.46
USP30 Q70CQ3 3/20 0.39
BCHE P06276 3/20 0.37
SCD O00767 2/20 0.37
SCD5 Q86SK9 2/20 0.37
MGLL Q99685 1/20 0.36
MAP3K7 O43318 1/20 0.35
TAB1 Q15750 1/20 0.35
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
CHRM4 P08173 1/20 0.35
TNKS O95271 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
SCHEMBL4113344 0.91 ACHE (0.44) ACHEUSP30BCHESCDSCD5
SCHEMBL4115130 0.91 ACHE (0.45) ACHEBCHESCD5CHRM4
SCHEMBL4121129 0.89 CETP (0.41) ACHEUSP30MGLL
SCHEMBL4133873 0.89 ACHE (0.44) ACHEBCHE
SCHEMBL4130230 0.88 ACHE (0.42) ACHEUSP30BCHESCDSCD5
Dimethylamine SCHEMBL4113352 0.87 ACHE (0.45) ACHEUSP30BCHESCDSCD5
SCHEMBL4112092 0.86 ACHE (0.42) ACHEUSP30BCHE
SCHEMBL4113639 0.85 ACHE (0.47) ACHEUSP30BCHE
SCHEMBL4133580 0.84 ACHE (0.39) ACHEBCHESCDSCD5
SCHEMBL4133717 0.83 ACHE (0.47) ACHEBCHEMGLLCHRM4

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.