SCHEMBL4121989

SCHEMBL4121989

C=CCc1ccc2c(CCC3CCN(C(=O)O)CC3)noc2c1COC1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 17/20 0.36
BCHE P06276 4/20 0.36
PTPN1 P18031 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL4126879 0.91 ACHE (0.39) ACHEBCHEMEN1KMT2A
SCHEMBL13596238 0.91 GPR119 (0.39) ACHE
SCHEMBL4121893 0.90 ACHE (0.37) ACHEBCHEMEN1KMT2A
SCHEMBL4127802 0.89 ACHE (0.37) ACHEBCHEMEN1KMT2A
SCHEMBL4116916 0.87 ACHE (0.37) ACHEBCHEMEN1KMT2A
SCHEMBL4134851 0.85 ACHE (0.39) ACHEBCHE
SCHEMBL4132504 0.85 ACHE (0.38) ACHEBCHE
SCHEMBL4127489 0.84 GPR119 (0.39) ACHE
SCHEMBL4127000 0.83 ACHE (0.35) ACHEBCHE
SCHEMBL4126138 0.83 ACHE (0.35) ACHEBCHEKMT2A

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 2215/4885PTPN1 3602/4885

“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.