SCHEMBL1689258

SCHEMBL1689258

COc1ccc(-c2nnc(N3CCN4CCC3CC4)o2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.66
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
KDM4E B2RXH2 5/20 0.50
MAPK1 P28482 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TLR9 Q9NR96 7/20 0.48
TLR8 Q9NR97 7/20 0.48
TLR7 Q9NYK1 7/20 0.48
HSD17B10 Q99714 3/20 0.45
PRNP P04156 1/20 0.45
MAPT P10636 1/20 0.45
ALPG P10696 1/20 0.45
TP53 P04637 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 SCHEMBL2112124 0.91 CHRNA7 (0.55) CHRNA7CHRNB4CHRNA3KDM4EMAPK1
SCHEMBL1689092 0.88 CHRNA7 (0.59) CHRNA7CHRNB4CHRNA3KDM4EMAPK1
SCHEMBL2112299 0.85 CHRNA7 (0.73) CHRNA7CHRNB4CHRNA3KDM4EALDH1A1
SCHEMBL2638532 0.84 CHRNA7 (0.60) CHRNA7CHRNB4CHRNA3KDM4EALDH1A1
SCHEMBL1688975 0.81 CHRNA7 (0.79) CHRNA7CHRNB4CHRNA3
SCHEMBL19488945 0.81 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3KMT2A
Fumaric Acid SCHEMBL2113242 0.80 CHRNA7 (0.50) CHRNA7CHRNB4CHRNA3KDM4EMAPK1
SCHEMBL1689175 0.80 CHRNA7 (1.00) CHRNA7CHRNB4CHRNA3NPC1RAB9A
SCHEMBL18016318 0.80 CHRNA7 (1.00) CHRNA7CHRNB4CHRNA3NPC1RAB9A
SCHEMBL2637916 0.80 CHRNA7 (0.67) CHRNA7CHRNB4CHRNA3ALDH1A1HPGD

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.