SCHEMBL4126868

SCHEMBL4126868

CN(C)Cc1c(Oc2ccc(C#N)cc2)ccc2c(CCC3CCN(C(=O)O)CC3)noc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.42
SLC6A4 P31645 2/20 0.36
BCHE P06276 3/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
POLB P06746 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KDM1A O60341 2/20 0.33
KCNH2 Q12809 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
SCHEMBL4121886 0.91 GPR119 (0.45) ACHE
SCHEMBL4112441 0.90 ACHE (0.42) ACHEBCHEKDM1AKCNH2
SCHEMBL13597672 0.89 ACHE (0.42) ACHESLC6A4BCHEHRH3
SCHEMBL4120895 0.89 ACHE (0.41) ACHEBCHEKDM1A
Dimethylamine SCHEMBL4126875 0.87 ACHE (0.42) ACHESLC6A4BCHECYP11B1CYP11B2
SCHEMBL4134379 0.87 ACHE (0.43) ACHEBCHEKDM1A
SCHEMBL4119755 0.87 ACHE (0.60) ACHEBCHEHRH3
SCHEMBL4112600 0.87 ACHE (0.42) ACHESLC6A4BCHEHRH3
SCHEMBL4125187 0.87 SLC6A4 (0.39) ACHESLC6A4HRH3KDM1AKCNH2
SCHEMBL4126858 0.86 ACHE (0.39) ACHEBCHEKDM1A

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 ACHE 3716/4885SLC6A4 1398/4885BCHE 2215/4885

“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.