SCHEMBL4133717

SCHEMBL4133717

N#Cc1cccc(COc2ccc3c(CCC4CCN(C(=O)O)CC4)noc3c2CO)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.47
MGLL Q99685 1/20 0.39
BCHE P06276 3/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MET P08581 1/20 0.36
CHRM4 P08173 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL4126759 0.92 ACHE (0.45) ACHEMGLLBCHEFFAR1FFAR4
SCHEMBL4124707 0.91 ACHE (0.44) ACHEBCHECHRM4
SCHEMBL4122438 0.91 ACHE (0.42) ACHEMGLLPDCD1CD274
SCHEMBL4119957 0.89 ACHE (0.48) ACHEBCHE
Dimethylamine SCHEMBL4126764 0.88 ACHE (0.46) ACHEMGLLBCHEMETMRGPRX4
SCHEMBL4120880 0.85 ACHE (0.40) ACHEBCHECHRM4
SCHEMBL4410311 0.85 ACHE (0.39) ACHEMGLLBCHE
SCHEMBL4114849 0.85 ACHE (0.40) ACHEBCHEFFAR1
SCHEMBL4126867 0.84 ACHE (0.41) ACHEBCHE
SCHEMBL4129872 0.84 ACHE (0.41) ACHEMGLLPDCD1CD274

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 3716/4885MGLL 4002/4885BCHE 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.