SCHEMBL1689092

SCHEMBL1689092

COc1cc(-c2nnc(N3CCN4CCC3CC4)o2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.59
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 6/20 0.54
HPGD P15428 6/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 2/20 0.50
ACHE P22303 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
BCHE P06276 1/20 0.50
BACE1 P56817 1/20 0.50
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
HSD17B10 Q99714 3/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 2/20 0.43

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 SCHEMBL2113242 0.91 CHRNA7 (0.50) CHRNA7ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL1689258 0.88 CHRNA7 (0.66) CHRNA7ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2112299 0.81 CHRNA7 (0.73) CHRNA7ALDH1A1KDM4EHPGDSMN1; SMN2
Fumaric Acid SCHEMBL2112124 0.80 CHRNA7 (0.55) CHRNA7ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2638532 0.79 CHRNA7 (0.60) CHRNA7ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL1395842 0.79 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3
SCHEMBL19488945 0.76 CHRNA7 (0.78) CHRNA7ACHEKMT2ABACE1CHRNB4
SCHEMBL1753505 0.76 CHRNA7 (0.78) CHRNA7SMN1; SMN2ACHEBCHEBACE1
SCHEMBL2639242 0.75 CHRNA7 (0.64) CHRNA7CHRNB4CHRNA3
SCHEMBL2641600 0.75 CHRNA7 (0.76) CHRNA7CHRNB4CHRNA3CYP2C19

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 7/4885ALDH1A1 1010/4885KDM4E 2411/4885
US-20120172353-A1 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL COMPOUNDS AND THEIR MEDICAL USE CHRNA3, CHRNA6, CHRNA2 CHRNA7 7/4885ALDH1A1 971/4885KDM4E 2736/4885

“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.