SCHEMBL4126816

SCHEMBL4126816

CN(C)Cc1c(-c2ccccc2)ccc2c(CCC3CCNCC3)noc12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.39
BCHE P06276 1/20 0.39
KHK P50053 1/20 0.37
ALDH1A1 P00352 1/20 0.34
SLC6A4 P31645 2/20 0.34
MERTK Q12866 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4125646 0.91 TSHR (0.34) ACHEBCHEKHK
Hydrochloric Acid SCHEMBL4116872 0.90 TSHR (0.34) ACHEBCHEKHKSLC6A4
SCHEMBL4112442 0.90 KDM4E (0.35) ACHEBCHEALDH1A1RAB9AL3MBTL1
SCHEMBL4121333 0.89 ACHE (0.39) ACHE
SCHEMBL4132482 0.88 ACHE (0.41) ACHEBCHEKHKSLC6A4RAB9A
SCHEMBL4113773 0.87 ACHE (0.40) ACHESLC6A4
SCHEMBL4113043 0.87 ACHE (0.35) ACHEBCHEKHKSLC6A4MERTK
SCHEMBL4122545 0.85 ACHE (0.34) ACHEBCHEKHKSLC6A4
SCHEMBL4121160 0.85 ACHE (0.43) ACHEBCHE
SCHEMBL4120636 0.85 ACHE (0.34) ACHEBCHEKHKSLC6A4

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 5 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
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.