SCHEMBL4127090

SCHEMBL4127090

CN(C)Cc1c(OCC(F)(F)F)ccc2c(CCC3CCNCC3)noc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
NR1H2 P55055 14/20 0.35
NR1H3 Q13133 14/20 0.35
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PPARD Q03181 7/20 0.32
PPARA Q07869 6/20 0.32
BCHE P06276 1/20 0.32
PPARG P37231 5/20 0.32
GRM2 Q14416 1/20 0.31

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
SCHEMBL4116955 0.89 ACHE (0.37) ACHETLR9TLR8TLR7BCHE
SCHEMBL4115043 0.88 GRM2 (0.38) ACHENR1H2NR1H3TLR9TLR8
SCHEMBL13596019 0.87 ACHE (0.45) ACHETLR9TLR8TLR7BCHE
SCHEMBL4132429 0.87 ACHE (0.36) ACHENR1H2NR1H3TLR9TLR8
SCHEMBL4114643 0.85 SLC6A4 (0.41) ACHETLR9TLR8TLR7BCHE
SCHEMBL4121186 0.85 ACHE (0.44) ACHEBCHE
SCHEMBL4131030 0.85 ACHE (0.41) ACHENR1H2NR1H3PPARDPPARA
SCHEMBL4121137 0.84 ACHE (0.44) ACHENR1H2NR1H3PPARDPPARA
SCHEMBL4120695 0.84 ACHE (0.35) ACHETLR9TLR8TLR7BCHE
SCHEMBL4120701 0.84 ACHE (0.35) ACHETLR9TLR8TLR7BCHE

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 4 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
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 3716/4885NR1H2 45/4885NR1H3 37/4885

“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.