SCHEMBL1689084

SCHEMBL1689084

Oc1ccc(-c2nnc(N3CCN4CCC3CC4)o2)cc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.78
CHRNB4 P30926 2/20 0.54
CHRNA3 P32297 2/20 0.54
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
HTR3A P46098 4/20 0.45
KCNH2 Q12809 2/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42

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
SCHEMBL18016318 0.88 CHRNA7 (1.00) CHRNA7CHRNB4CHRNA3BCHEACHE
SCHEMBL1689175 0.88 CHRNA7 (1.00) CHRNA7CHRNB4CHRNA3BCHEACHE
SCHEMBL2638541 0.86 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3BCHEACHE
SCHEMBL19488945 0.86 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3ACHEBACE1
SCHEMBL1689205 0.86 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL3031137 0.86 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL1688951 0.86 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3BCHEACHE
SCHEMBL2637929 0.86 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3BCHEACHE
SCHEMBL1753505 0.86 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3BCHEACHE
Hydrochloric Acid SCHEMBL2114788 0.85 CHRNA7 (0.76) CHRNA7CHRNB4CHRNA3BCHEACHE

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172353-A1 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL COMPOUNDS AND THEIR MEDICAL USE DANPET AB (SE) 2012-07-05 US claimed
US-20100216780-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE DANPET AB (SE) 2010-08-26 US claimed
EP-2032574-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-03-11 EP claimed
WO-2007138037-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-12-06 WO claimed
US-8372832-B2 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl compounds and their medical use NEUROSEARCH A/S (DK) 2013-02-12 US disclosed
US-20120172353-A1 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL COMPOUNDS AND THEIR MEDICAL USE DANPET AB (SE) 2012-07-05 US disclosed
US-8158619-B2 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl compounds and their medical use NEUROSEARCH A/S (DK) 2012-04-17 US disclosed
US-20100216780-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE DANPET AB (SE) 2010-08-26 US disclosed
EP-2194056-A1 Novel 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl derivatives and their medical use NeuroSearch A/S (DK) 2010-06-09 EP disclosed
EP-2032574-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-03-11 EP disclosed
WO-2007138037-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-12-06 WO 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 (2 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-20100216780-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE CHRNA3, CHRNA6, CHRNA2 CHRNA7 7/4885CHRNB4 12/4885CHRNA3 1/4885
US-20120172353-A1 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL COMPOUNDS AND THEIR MEDICAL USE CHRNA3, CHRNA6, CHRNA2 CHRNA7 7/4885CHRNB4 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.