SCHEMBL4126334

SCHEMBL4126334

CC(C)(C)[Si](C)(C)OCc1c(OCc2ccc(C#N)nc2)ccc2c(CCC3CCN(C(=O)O)CC3)noc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.36
BCHE P06276 3/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
CHRM4 P08173 2/20 0.31
CHEK1 O14757 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
PPARG P37231 2/20 0.30
PPARD Q03181 2/20 0.30
PPARA Q07869 2/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL4132983 0.92 GPR119 (0.40) ACHEJAK2JAK1GPR119
SCHEMBL4119841 0.89 ACHE (0.38) ACHEBCHEJAK2JAK1TYK2
SCHEMBL4127264 0.87 ACHE (0.41) ACHEBCHENR1H2NR1H3
SCHEMBL4124926 0.86 ACHE (0.41) ACHEBCHECHRM4
Dimethylamine SCHEMBL4119848 0.85 ACHE (0.38) ACHEBCHEJAK2JAK1TYK2
SCHEMBL4120533 0.83 ACHE (0.41) ACHEBCHE
SCHEMBL4126342 0.82 ACHE (0.35) ACHEBCHEJAK2JAK1TYK2
SCHEMBL4128282 0.81 ACHE (0.39) ACHEBCHEGPR119
SCHEMBL4112826 0.80 ACHE (0.41) ACHEBCHE
SCHEMBL4124707 0.80 ACHE (0.44) ACHEBCHECHRM4GPR119

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 3716/4885BCHE 2215/4885JAK2 1131/4885

“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.