SCHEMBL4120790

SCHEMBL4120790

CN(C)Cc1c(OCc2ccc(C#N)cn2)ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.39
IRAK4 Q9NWZ3 1/20 0.37
CETP P11597 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
FAAH O00519 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL4127679 0.93 GPR119 (0.39) GPR119IRAK4CETPFAAHACHE
SCHEMBL4126858 0.92 ACHE (0.39) ACHE
SCHEMBL4122307 0.91 GPR119 (0.43) GPR119IRAK4CETPFNTAFNTB
SCHEMBL4122100 0.90 GPR119 (0.37) GPR119IRAK4CETPFAAHACHE
Dimethylamine SCHEMBL4120798 0.88 CETP (0.39) GPR119IRAK4CETPFAAHACHE
SCHEMBL4121886 0.87 GPR119 (0.45) GPR119CETPFNTAFNTBFAAH
SCHEMBL4127818 0.87 GPR119 (0.38) GPR119CETPACHE
SCHEMBL4129872 0.87 ACHE (0.41) GPR119IRAK4CETPACHE
SCHEMBL4122124 0.86 GPR119 (0.40) GPR119FAAHACHE
SCHEMBL4120746 0.85 GPR119 (0.39) 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 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 122/4885IRAK4 1514/4885CETP 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.