SCHEMBL4126469

SCHEMBL4126469

CN(C)Cc1c(OCc2ccc(C#N)s2)ccc2c(CCC3CCNCC3)noc12

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACHE P22303 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
SCHEMBL13597624 0.89 ACHE (0.38) ACHE
SCHEMBL4129928 0.87 ACHE (0.36) ACHE
SCHEMBL4112588 0.86 ACHE (0.38) ACHE
Dimethylamine SCHEMBL4126478 0.85 ACHE (0.33) ACHE
SCHEMBL4120309 0.85 ACHE (0.53) ACHE
SCHEMBL4120746 0.84 GPR119 (0.39)
Hydrochloric Acid SCHEMBL4120780 0.84 ACHE (0.52) ACHE
SCHEMBL4126422 0.84 SLC6A4 (0.36) ACHE
SCHEMBL4116955 0.84 ACHE (0.37) ACHE
SCHEMBL4121919 0.83 ACHE (0.35) ACHE

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 3 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
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 3716/4885

“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.