SCHEMBL4132482

SCHEMBL4132482

OCc1c(-c2ccccc2)ccc2c(CCC3CCNCC3)noc12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.41
BCHE P06276 2/20 0.41
KHK P50053 1/20 0.37
SLC6A4 P31645 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EP300 Q09472 1/20 0.35

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
SCHEMBL4115246 0.91 KDM1A (0.36) ACHEBCHESLC6A4RAB9AL3MBTL1
SCHEMBL4126816 0.88 ACHE (0.39) ACHEBCHEKHKSLC6A4RAB9A
SCHEMBL4112092 0.88 ACHE (0.42) ACHEBCHE
SCHEMBL4133873 0.83 ACHE (0.44) ACHEBCHE
SCHEMBL4125934 0.81 ACHE (0.46) ACHEBCHE
SCHEMBL13596010 0.80 ACHE (0.46) ACHEBCHEKHKSLC6A4
SCHEMBL4112442 0.80 KDM4E (0.35) ACHEBCHERAB9AL3MBTL1
SCHEMBL4118988 0.79 ACHE (0.37) ACHEBCHEKHKEP300
SCHEMBL4125646 0.79 TSHR (0.34) ACHEBCHEKHKEP300
SCHEMBL4120792 0.78 KDM4E (0.44) 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 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 2215/4885KHK 3555/4885

“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.