SCHEMBL1769897

SCHEMBL1769897

c1cc2c(cc1-c1nnc(N3CCN4CCC3CC4)o1)CCO2

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.62
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
GSK3B P49841 11/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
DYRK1A Q13627 1/20 0.41
PDE4A P27815 1/20 0.41

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
SCHEMBL391952 0.87 CHRNA7 (0.66) CHRNA7CHRNB4CHRNA3NPC1RAB9A
SCHEMBL12274238 0.85 CHRNA7 (0.63) CHRNA7CHRNB4CHRNA3NPC1RAB9A
SCHEMBL388683 0.83 CHRNA7 (0.66) CHRNA7CHRNB4CHRNA3NPC1MAPT
SCHEMBL1396004 0.83 CHRNA7 (0.66) CHRNA7CHRNB4CHRNA3NPC1MAPT
Fumaric Acid SCHEMBL391501 0.79 CHRNA7 (0.55) CHRNA7CHRNB4CHRNA3NPC1RAB9A
SCHEMBL1688975 0.79 CHRNA7 (0.79) CHRNA7CHRNB4CHRNA3
SCHEMBL1689258 0.78 CHRNA7 (0.66) CHRNA7CHRNB4CHRNA3NPC1MAPT
SCHEMBL1395946 0.78 CHRNA7 (0.65) CHRNA7CHRNB4CHRNA3
SCHEMBL1689175 0.77 CHRNA7 (1.00) CHRNA7CHRNB4CHRNA3NPC1RAB9A
SCHEMBL18016318 0.77 CHRNA7 (1.00) CHRNA7CHRNB4CHRNA3NPC1RAB9A

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-20110112078-A1 NOVEL OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2011-05-12 US claimed
US-20110112078-A1 NOVEL OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2011-05-12 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-20110112078-A1 NOVEL OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE CHRNA3, CHRNA6, CHRNA7 CHRNA7 3/4885CHRNB4 12/4885CHRNA3 1/4885

“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.