SCHEMBL1689209

SCHEMBL1689209

Fc1ccc(-c2nnc(N3CCN4CCC3CC4)o2)c(F)c1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.73
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
BACE1 P56817 1/20 0.51
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
KCNH2 Q12809 3/20 0.46
HTR3A P46098 3/20 0.46
ACKR3 P25106 1/20 0.44
CHRNA1 P02708 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44

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
Fumaric Acid SCHEMBL2113274 0.90 CHRNA7 (0.60) CHRNA7BCHEACHEBACE1CHRNB4
SCHEMBL1395941 0.90 CHRNA7 (0.73) CHRNA7BCHEACHEBACE1CHRNB4
SCHEMBL1396005 0.88 CHRNA7 (0.62) CHRNA7BCHEACHEBACE1CHRNB4
SCHEMBL1689257 0.85 CHRNA7 (0.68) CHRNA7CHRNB4CHRNA3KCNH2HTR3A
SCHEMBL1689175 0.84 CHRNA7 (1.00) CHRNA7BCHEACHEBACE1CHRNB4
SCHEMBL18016318 0.84 CHRNA7 (1.00) CHRNA7BCHEACHEBACE1CHRNB4
SCHEMBL1689172 0.81 CHRNA7 (0.75) CHRNA7CHRNB4CHRNA3KCNH2HTR3A
SCHEMBL1395842 0.81 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3KCNH2HTR3A
Hydrochloric Acid SCHEMBL2112287 0.81 CHRNA7 (0.73) CHRNA7CHRNB4CHRNA3KCNH2HTR3A
SCHEMBL1688975 0.79 CHRNA7 (0.79) CHRNA7CHRNB4CHRNA3KCNH2HTR3A

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 7/4885BCHE 69/4885ACHE 19/4885
US-20120172353-A1 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL COMPOUNDS AND THEIR MEDICAL USE CHRNA3, CHRNA6, CHRNA2 CHRNA7 7/4885BCHE 67/4885ACHE 15/4885

“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.