SCHEMBL5794544

SCHEMBL5794544

C#CCN(C(=O)OC(C)(C)C)C1CCc2ccc(N=C=O)cc21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.46
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
BCHE P06276 1/20 0.34

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
SCHEMBL3300396 0.85 ACHE (0.49) ACHEMAOAMAOBBCHE
SCHEMBL3299930 0.85 ACHE (0.49) ACHEMAOAMAOBBCHE
SCHEMBL5790932 0.84 ACHE (0.43) ACHEMAOAMAOB
SCHEMBL5899449 0.84 ACHE (0.48) ACHEMAOAMAOBBCHE
SCHEMBL3378411 0.81 MAOA (0.56) ACHEMAOAMAOBBCHE
SCHEMBL3378409 0.81 MAOA (0.56) ACHEMAOAMAOBBCHE
SCHEMBL5899576 0.80 ACHE (0.46) ACHEMAOAMAOB
SCHEMBL3299004 0.79 ACHE (0.56) ACHEMAOAMAOBBCHE
SCHEMBL12450286 0.78 ACHE (0.41) ACHEMAOAMAOBBCHE
SCHEMBL3300195 0.77 ACHE (0.58) ACHEMAOAMAOBBCHE

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
WO-2006014968-A2 PROPARGYL NITROXYDES AND INDANYL NITROXIDES AND THEIR USE FOR THE TREATMENT OF NEUROLOGIC DISEASES AND DISORDERS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2006-02-09 WO disclosed
US-20060025446-A1 Propargyl nitroxides and indanyl nitroxides and their use for the treatment of neurologic diseases and disorders TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2006-02-02 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-20060025446-A1 Propargyl nitroxides and indanyl nitroxides and their use for the treatment of neurologic diseases and disorders CBR1, NR1H2, NR1H3 ACHE 138/4885MAOA 1371/4885MAOB 996/4885

“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.