SCHEMBL13596076

SCHEMBL13596076

C/C=C/c1c(N(C)C)ccc2c(CCC3CCNCC3)noc12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.35
BCHE P06276 1/20 0.34
NMT1 P30419 2/20 0.32
KHK P50053 1/20 0.32
SLC6A4 P31645 2/20 0.31
HRH3 Q9Y5N1 1/20 0.30
BRD4 O60885 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
SCHEMBL13596064 0.87 ACHE (0.40) ACHEBCHENMT1
SCHEMBL4120928 0.84 ACHE (0.38) ACHEBCHENMT1KHKSLC6A4
SCHEMBL4120266 0.84 ACHE (0.38) ACHEBCHENMT1KHKSLC6A4
SCHEMBL4120262 0.84 ACHE (0.38) ACHEBCHENMT1KHKSLC6A4
SCHEMBL13596028 0.83 ACHE (0.45) ACHEBCHEKHKSLC6A4HRH3
SCHEMBL4112878 0.83 ACHE (0.37) ACHEBCHEKHKSLC6A4HRH3
SCHEMBL4112880 0.83 ACHE (0.37) ACHEBCHEKHKSLC6A4HRH3
SCHEMBL4113234 0.83 ACHE (0.37) ACHEBCHEKHKSLC6A4HRH3
SCHEMBL13596062 0.81 ACHE (0.36) ACHEBCHEKHKSLC6A4HRH3
SCHEMBL4125592 0.78 ACHE (0.38) 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 1 patent. 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

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 2215/4885NMT1 2260/4885

“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.