SCHEMBL4126903

SCHEMBL4126903

CN(C)Cc1c2ccccc2cc2c(CCC3CCNCC3)noc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.38
SLC6A4 P31645 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
TLR9 Q9NR96 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
BCHE P06276 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL13596120 0.87 ACHE (0.43) ACHEBCHE
SCHEMBL4120277 0.84 ACHE (0.43) ACHEBCHE
SCHEMBL13596037 0.81 ACHE (0.36) ACHESLC6A4TLR9TLR8TLR7
SCHEMBL4126816 0.81 ACHE (0.39) ACHESLC6A4BCHE
SCHEMBL13596047 0.80 ALDH1A1 (0.37) ACHESLC6A4KDM4EBCHE
SCHEMBL13596062 0.80 ACHE (0.36) ACHESLC6A4TLR9TLR8TLR7
SCHEMBL4131548 0.80 KDM4E (0.41) ACHEKDM4E
SCHEMBL4125588 0.80 ACHE (0.38) ACHESLC6A4TLR9TLR8TLR7
SCHEMBL4127336 0.80 ACHE (0.38) ACHESLC6A4TLR9TLR8TLR7
SCHEMBL4125592 0.80 ACHE (0.38) ACHESLC6A4TLR9TLR8TLR7

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 3716/4885SLC6A4 1398/4885KDM4E 3136/4885

“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.