SCHEMBL4131099

SCHEMBL4131099

N#Cc1ccc(Oc2ccc3c(CCC4CCN(C(=O)O)CC4)noc3c2C=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.42
BCHE P06276 4/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
SLC6A4 P31645 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
POLB P06746 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
KDM1A O60341 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
SCHEMBL13596377 0.90 GPR119 (0.45) ACHE
SCHEMBL13597383 0.89 ACHE (0.42) ACHEBCHESIGMAR1
SCHEMBL4126868 0.86 ACHE (0.42) ACHEBCHECYP11B1CYP11B2SLC6A4
Dimethylamine SCHEMBL4126875 0.86 ACHE (0.42) ACHEBCHECYP11B1CYP11B2SLC6A4
SCHEMBL4121931 0.82 GPR119 (0.44) ACHE
SCHEMBL4121939 0.82 GPR119 (0.44) ACHE
SCHEMBL4126112 0.82 GPR119 (0.44) ACHE
SCHEMBL4133392 0.81 ACHE (0.42) ACHEBCHE
SCHEMBL4126653 0.79 ACHE (0.42) ACHEBCHESIGMAR1KDM1A
SCHEMBL13597381 0.78 ACHE (0.40) ACHEBCHESIGMAR1

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 2215/4885CYP11B1 12/4885

“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.