SCHEMBL4115162

SCHEMBL4115162

N#Cc1ccc(COc2cc(C=O)c3onc(CCC4CCN(C(=O)O)CC4)c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.42
YAP1 P46937 6/20 0.42
SCN7A Q01118 1/20 0.37
KCNH2 Q12809 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
PRKDC P78527 1/20 0.34
MMP1 P03956 1/20 0.34
ADAM17 P78536 1/20 0.34
BCHE P06276 2/20 0.34
SPHK2 Q9NRA0 1/20 0.34

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
SCHEMBL4121245 0.90 GPR119 (0.46) ACHEYAP1GPR119
Dimethylamine SCHEMBL4121481 0.87 ACHE (0.42) ACHEYAP1GPR119MMP1ADAM17
SCHEMBL4121471 0.86 ACHE (0.41) ACHEYAP1SCN7AKCNH2GPR119
SCHEMBL4135341 0.79 ACHE (0.42) ACHEBCHE
SCHEMBL4124707 0.79 ACHE (0.44) ACHEYAP1GPR119BCHE
SCHEMBL4127320 0.79 ACHE (0.38) ACHEBCHE
Dimethylamine SCHEMBL4126693 0.78 GPR119 (0.46) ACHEYAP1GPR119
Dimethylamine SCHEMBL4112450 0.78 ACHE (0.42) ACHEYAP1BCHE
SCHEMBL4126687 0.78 GPR119 (0.46) ACHEYAP1GPR119
SCHEMBL4112441 0.78 ACHE (0.42) ACHEYAP1KCNH2GPR119BCHE

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 3716/4885YAP1 3743/4885SCN7A 298/4885

“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.