SCHEMBL4125673

SCHEMBL4125673

CC(C)(C)[C@@H]1CCCC[C@]1(C=O)O[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
OPRM1 P35372 1/20 0.30

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
SCHEMBL4118912 1.00 SLC6A2 (0.30) SLC6A2SLC6A4OPRM1
SCHEMBL4113872 0.96
SCHEMBL4125678 0.76 CYP2D6 (0.34)
SCHEMBL4121152 0.76 CYP2D6 (0.34)
SCHEMBL21058298 0.74
SCHEMBL4113192 0.73 ALDH1A1 (0.40) OPRM1
SCHEMBL4125650 0.72 CYP3A4 (0.32)
SCHEMBL8467513 0.71 PSEN1 (0.30)
SCHEMBL4122288 0.65 GAA (0.39)
SCHEMBL10437849 0.65 GLA (0.40)

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 SLC6A2 1758/4885SLC6A4 1398/4885OPRM1 116/4885

“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.