SCHEMBL4115114

SCHEMBL4115114

CN(C)Cc1c(OCc2ccc(C#N)nc2)ccc2c(CCC3CCNCC3)noc12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.33
CHEK1 O14757 7/20 0.32
CHEK2 O96017 2/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
BCHE P06276 1/20 0.30

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
SCHEMBL4112588 0.90 ACHE (0.38) ACHEBCHE
SCHEMBL4119841 0.87 ACHE (0.38) ACHECHEK1BCHE
SCHEMBL4120432 0.86 ACHE (0.53) ACHEBCHE
SCHEMBL4121451 0.86 HTR6 (0.45) ACHEBCHE
Dimethylamine SCHEMBL4115122 0.85 CHEK1 (0.36) ACHECHEK1CHEK2ALOX5APFEN1
Hydrochloric Acid SCHEMBL4112974 0.85 ACHE (0.52) ACHEBCHE
SCHEMBL4114643 0.85 SLC6A4 (0.41) ACHEBCHE
SCHEMBL13966088 0.85 ACHE (0.36) ACHEBCHE
SCHEMBL4121186 0.85 ACHE (0.44) ACHEBCHE
SCHEMBL4132948 0.85 PDE3B (0.40) 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 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 3716/4885CHEK1 4518/4885CHEK2 4660/4885

“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.