SCHEMBL4121471

SCHEMBL4121471

CN(C)Cc1cc(OCc2ccc(C#N)cc2)cc2c(CCC3CCN(C(=O)O)CC3)noc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.41
YAP1 P46937 1/20 0.39
GPR119 Q8TDV5 1/20 0.36
MAOB P27338 3/20 0.35
MAOA P21397 1/20 0.35
KCNH2 Q12809 2/20 0.34
SCN7A Q01118 1/20 0.34
BCHE P06276 1/20 0.34
KDM1A O60341 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
RAB9A P51151 1/20 0.33
PRKDC P78527 1/20 0.33

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
SCHEMBL4126687 0.91 GPR119 (0.46) ACHEYAP1GPR119
SCHEMBL4127914 0.88 ACHE (0.57) ACHEBCHE
Hydrochloric Acid SCHEMBL4126012 0.87 ACHE (0.57) ACHEBCHE
SCHEMBL4125583 0.87 ACHE (0.38) ACHEMAOBMAOAKCNH2KDM1A
Dimethylamine SCHEMBL4121481 0.87 ACHE (0.42) ACHEYAP1GPR119BCHEKDM1A
SCHEMBL4115162 0.86 ACHE (0.42) ACHEYAP1GPR119KCNH2SCN7A
SCHEMBL4112441 0.84 ACHE (0.42) ACHEYAP1GPR119KCNH2BCHE
SCHEMBL4120895 0.83 ACHE (0.41) ACHEYAP1BCHEKDM1A
Dimethylamine SCHEMBL4112450 0.80 ACHE (0.42) ACHEYAP1MAOBMAOABCHE
Dimethylamine SCHEMBL4126693 0.79 GPR119 (0.46) ACHEYAP1GPR119

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 3743/4885GPR119 122/4885

“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.