SCHEMBL4120880

SCHEMBL4120880

N#Cc1ccc(COc2ccc3c(CCC4CCN(C(=O)O)CC4)noc3c2CO)nc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.40
CHRM4 P08173 3/20 0.36
BCHE P06276 2/20 0.34
USP30 Q70CQ3 1/20 0.33
ALOX5 P09917 1/20 0.33
KDM1A O60341 1/20 0.32
MAPK7 Q13164 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
SCHEMBL4126858 0.92 ACHE (0.39) ACHECHRM4BCHEUSP30ALOX5
SCHEMBL4127679 0.90 GPR119 (0.39) ACHE
SCHEMBL4124707 0.90 ACHE (0.44) ACHECHRM4BCHEKDM1A
Dimethylamine SCHEMBL4126864 0.88 ACHE (0.39) ACHECHRM4BCHEALOX5KDM1A
SCHEMBL4133717 0.85 ACHE (0.47) ACHECHRM4BCHE
SCHEMBL4410311 0.85 ACHE (0.39) ACHEBCHE
SCHEMBL4121139 0.85 ACHE (0.43) ACHEBCHE
SCHEMBL4114849 0.84 ACHE (0.40) ACHEBCHE
SCHEMBL4127843 0.84 ACHE (0.36) ACHEBCHE
SCHEMBL4113252 0.83 ACHE (0.42) 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 3716/4885CHRM4 234/4885BCHE 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.