SCHEMBL4133262

SCHEMBL4133262

CN(C)Cc1c(OCCc2ccccc2)ccc2c(CCC3CCN(C(=O)O)CC3)noc12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 17/20 0.47
BCHE P06276 3/20 0.42
PPARG P37231 3/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 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
SCHEMBL4114201 0.92 ACHE (0.48) ACHEBCHE
SCHEMBL4128096 0.91 ACHE (0.44) ACHEBCHE
SCHEMBL4120290 0.91 ACHE (0.41) ACHEBCHEPPARGPPARDPPARA
SCHEMBL4130315 0.89 ACHE (0.61) ACHEBCHE
Hydrochloric Acid SCHEMBL4127348 0.88 ACHE (0.60) ACHEBCHE
SCHEMBL4127421 0.88 ACHE (0.42) ACHEBCHE
SCHEMBL4114462 0.87 ACHE (0.49) ACHEBCHE
SCHEMBL4131954 0.87 ACHE (0.42) ACHEBCHEPPARGPPARDPPARA
SCHEMBL4131030 0.86 ACHE (0.41) ACHEBCHEPPARGPPARDPPARA
SCHEMBL4121137 0.86 ACHE (0.44) ACHEBCHEPPARGPPARDPPARA

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 2215/4885PPARG 498/4885

“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.