SCHEMBL13596035

SCHEMBL13596035

COCc1c(OS(=O)(=O)C(F)(F)F)ccc2c(CCC3CCN(C)CC3)noc12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 19/20 0.44
BCHE P06276 4/20 0.38
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL13596013 0.86 ACHE (0.52) ACHEBCHE
SCHEMBL13597429 0.81 ACHE (0.42) ACHEBCHE
SCHEMBL4130606 0.81 ACHE (0.38) ACHEBCHE
SCHEMBL13596033 0.81 ACHE (0.46) ACHEBCHE
SCHEMBL13596038 0.80 ACHE (0.46) ACHEBCHE
SCHEMBL4112473 0.78 GPR119 (0.38) ACHE
SCHEMBL13597417 0.78 GPR119 (0.41) ACHE
SCHEMBL13596008 0.77 ACHE (0.53) ACHEBCHE
SCHEMBL13596030 0.76 ACHE (0.52) ACHEBCHE
SCHEMBL13596009 0.76 ACHE (0.52) 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 1 patent. 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

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 2215/4885DRD2 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.