SCHEMBL4122006

SCHEMBL4122006

CN(C)Cc1c(OCC2CC2)ccc2c(CCC3CCN(c4ncccn4)CC3)noc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.42
BCHE P06276 2/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
GRM2 Q14416 1/20 0.35
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32

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
Hydrochloric Acid SCHEMBL4120147 0.99 ACHE (0.41) ACHEBCHEADRA1DADRA1AADRA1B
SCHEMBL4127001 0.91 ACHE (0.42) ACHEBCHEDRD2DRD4
Hydrochloric Acid SCHEMBL4128169 0.90 ACHE (0.42) ACHEBCHEDRD2DRD4
SCHEMBL4125432 0.89 ACHE (0.46) ACHEBCHEDRD2
SCHEMBL4120022 0.89 ACHE (0.42) ACHEBCHE
SCHEMBL4121282 0.89 ACHE (0.40) ACHEBCHEDRD2
Hydrochloric Acid SCHEMBL4129877 0.88 ACHE (0.42) ACHEBCHE
SCHEMBL13597350 0.88 ACHE (0.46) ACHEBCHE
SCHEMBL4133004 0.88 ACHE (0.44) ACHEBCHEADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL4122371 0.88 ACHE (0.39) ACHEBCHEDRD2

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 3716/4885BCHE 2215/4885ADRA1D 294/4885

“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.