SCHEMBL4126858

SCHEMBL4126858

CN(C)Cc1c(OCc2ccc(C#N)cn2)ccc2c(CCC3CCN(C(=O)O)CC3)noc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.39
CHRM4 P08173 4/20 0.34
ALOX5 P09917 1/20 0.33
BCHE P06276 2/20 0.33
KDM1A O60341 1/20 0.32
USP30 Q70CQ3 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
MAPK7 Q13164 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL4120880 0.92 ACHE (0.40) ACHECHRM4ALOX5BCHEKDM1A
SCHEMBL4120790 0.92 GPR119 (0.39) ACHE
SCHEMBL4112441 0.90 ACHE (0.42) ACHECHRM4BCHEKDM1A
SCHEMBL4114234 0.88 ACHE (0.55) ACHECHRM4BCHE
Dimethylamine SCHEMBL4126864 0.87 ACHE (0.39) ACHECHRM4ALOX5BCHEKDM1A
Fumaric Acid SCHEMBL4128297 0.87 ACHE (0.50) ACHECHRM4BCHECHRM2CHRM5
Fumaric Acid SCHEMBL4128304 0.87 ACHE (0.50) ACHECHRM4BCHECHRM2CHRM5
SCHEMBL4126868 0.86 ACHE (0.42) ACHEBCHEKDM1A
SCHEMBL4126759 0.86 ACHE (0.45) ACHEBCHE
SCHEMBL4134762 0.86 ACHE (0.39) ACHEBCHENR1H2NR1H3

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 234/4885ALOX5 2956/4885

“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.