SCHEMBL4120316

SCHEMBL4120316

CN(C)Cc1c(OCC2CC2)ccc2c(CCC3CCN(c4cccnc4)CC3)noc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.39
HRH3 Q9Y5N1 1/20 0.38
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
GPR119 Q8TDV5 1/20 0.35
BCHE P06276 1/20 0.34
CHRM4 P08173 1/20 0.33
USP1 O94782 2/20 0.32
MELK Q14680 1/20 0.32
NPY5R Q15761 1/20 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 SCHEMBL4130168 0.99 ACHE (0.39) ACHEHRH3DRD2DRD3GPR119
SCHEMBL4125432 0.91 ACHE (0.46) ACHEDRD2DRD3BCHE
SCHEMBL4121282 0.90 ACHE (0.40) ACHEDRD2DRD3BCHEMELK
Hydrochloric Acid SCHEMBL4122371 0.89 ACHE (0.39) ACHEDRD2DRD3BCHEMELK
SCHEMBL4122006 0.87 ACHE (0.42) ACHEDRD2BCHE
Hydrochloric Acid SCHEMBL4120147 0.86 ACHE (0.41) ACHEDRD2BCHE
SCHEMBL4127158 0.85 ACHE (0.45) ACHEBCHE
SCHEMBL4130389 0.85 ACHE (0.39) ACHEBCHE
SCHEMBL4120022 0.85 ACHE (0.42) ACHEHRH3BCHE
SCHEMBL4127001 0.85 ACHE (0.42) ACHEDRD2DRD3GPR119BCHE

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 3716/4885HRH3 317/4885DRD2 741/4885

“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.