SCHEMBL4121102

SCHEMBL4121102

CN(C)Cc1c(-c2ccccn2)ccc2c(CCC3CCN(C(=O)O)CC3)noc12

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.40
BCHE P06276 3/20 0.40
SCD5 Q86SK9 2/20 0.35
CYP46A1 Q9Y6A2 1/20 0.35

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
SCHEMBL4125005 0.91 ACHE (0.41) ACHEBCHESCD5
SCHEMBL4122097 0.90 GPR119 (0.42) ACHE
SCHEMBL4121160 0.89 ACHE (0.43) ACHEBCHE
SCHEMBL4121490 0.86 ACHE (0.40) ACHEBCHESCD5
Dimethylamine SCHEMBL4121108 0.85 ACHE (0.41) ACHEBCHESCD5
SCHEMBL4126426 0.85 ACHE (0.38) ACHEBCHECYP46A1
SCHEMBL4113043 0.85 ACHE (0.35) ACHEBCHE
SCHEMBL4127997 0.85 ACHE (0.39) ACHEBCHESCD5
SCHEMBL4122972 0.84 ACHE (0.39) ACHEBCHESCD5
SCHEMBL4127339 0.84 ACHE (0.44) 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 3716/4885BCHE 2215/4885SCD5 3576/4885

“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.