SCHEMBL4132996

SCHEMBL4132996

CNCc1c(OCC2CC2)ccc2c(CCC3CCN(c4ncccn4)CC3)noc12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.42
GRM2 Q14416 1/20 0.36
BCHE P06276 2/20 0.36
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33

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
Fumaric Acid SCHEMBL4113036 0.93 ACHE (0.42) ACHEGRM2BCHE
Fumaric Acid SCHEMBL4113041 0.93 ACHE (0.42) ACHEGRM2BCHE
SCHEMBL4122006 0.88 ACHE (0.42) ACHEGRM2BCHEADRA1DADRA1A
SCHEMBL4121344 0.87 ACHE (0.39) ACHEBCHE
Hydrochloric Acid SCHEMBL4120147 0.87 ACHE (0.41) ACHEGRM2BCHEADRA1DADRA1A
SCHEMBL4126367 0.86 ACHE (0.38) ACHEBCHE
SCHEMBL4133004 0.84 ACHE (0.44) ACHEGRM2BCHEADRA1DADRA1A
SCHEMBL13597318 0.84 ACHE (0.37) ACHEGRM2BCHE
SCHEMBL4124614 0.84 ACHE (0.39) ACHEBCHE
SCHEMBL4115594 0.83 ACHE (0.41) ACHEBCHE

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 3716/4885GRM2 73/4885BCHE 2215/4885

“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.