SCHEMBL13596408

SCHEMBL13596408

CN(C)Cc1c(OC2C=CCCC2)ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc12

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.37
PDE4B Q07343 2/20 0.35
ACHE P22303 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
FAAH O00519 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
SCHEMBL4127435 0.92 GPR119 (0.36) GPR119PDE4BACHEPDE4APDE4C
SCHEMBL4121467 0.91 ACHE (0.38) ACHE
SCHEMBL4129878 0.91 PDE4B (0.42) GPR119PDE4BACHEPDE4APDE4C
SCHEMBL4126281 0.84 CSF1R (0.42) GPR119ACHEFAAH
SCHEMBL13596405 0.83 GPR119 (0.43) GPR119PDE4BACHEPDE4APDE4C
SCHEMBL4114209 0.83 ACHE (0.55) ACHE
SCHEMBL4120815 0.83 PDE4B (0.43) GPR119PDE4BACHEPDE4APDE4C
Fumaric Acid SCHEMBL4120632 0.82 ACHE (0.51) ACHE
Fumaric Acid SCHEMBL4120629 0.82 ACHE (0.51) ACHE
SCHEMBL13597347 0.82 GPR119 (0.43) GPR119FAAH

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
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US 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 122/4885PDE4B 3849/4885ACHE 3716/4885

“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.