SCHEMBL4121245

SCHEMBL4121245

CC(C)(C)OC(=O)N1CCC(CCc2noc3c(C=O)cc(OCc4ccc(C#N)cc4)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.46
YAP1 P46937 4/20 0.45
CETP P11597 2/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
ACHE P22303 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL4115162 0.90 ACHE (0.42) GPR119YAP1ACHE
Dimethylamine SCHEMBL4126693 0.88 GPR119 (0.46) GPR119YAP1CETPCCNCCDK8
SCHEMBL4126687 0.88 GPR119 (0.46) GPR119YAP1CETPACHE
SCHEMBL4126649 0.82 GPR119 (0.39) GPR119YAP1ACHE
SCHEMBL4120249 0.82 FAAH (0.41) GPR119ACHE
SCHEMBL4120919 0.81 GPR119 (0.44) GPR119YAP1CETPACHEIRAK4
Dimethylamine SCHEMBL4122314 0.80 GPR119 (0.43) GPR119YAP1CETPACHEIRAK4
SCHEMBL4122307 0.80 GPR119 (0.43) GPR119YAP1CETPACHEIRAK4
Dimethylamine SCHEMBL4121481 0.79 ACHE (0.42) GPR119YAP1ACHE
SCHEMBL4121471 0.79 ACHE (0.41) GPR119YAP1ACHE

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 3 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
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 GPR119 122/4885YAP1 3743/4885CETP 3157/4885

“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.