SCHEMBL388683

SCHEMBL388683

c1cc2c(cc1-c1nnc(N3CCN4CCC3CC4)o1)OCO2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.66
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
NPC1 O15118 7/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
MAPT P10636 6/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
POLB P06746 4/20 0.45
TP53 P04637 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL767254 0.93 CHRNA7 (0.57) CHRNA7CHRNB4CHRNA3NPC1RAB9A
SCHEMBL391952 0.93 CHRNA7 (0.66) CHRNA7CHRNB4CHRNA3NPC1RAB9A
Fumaric Acid SCHEMBL392434 0.91 CHRNA7 (0.55) CHRNA7CHRNB4CHRNA3NPC1RAB9A
SCHEMBL12274238 0.91 CHRNA7 (0.63) CHRNA7CHRNB4CHRNA3NPC1RAB9A
Fumaric Acid SCHEMBL767250 0.85 CHRNA7 (0.48) CHRNA7CHRNB4CHRNA3NPC1RAB9A
Fumaric Acid SCHEMBL391501 0.84 CHRNA7 (0.55) CHRNA7CHRNB4CHRNA3NPC1RAB9A
SCHEMBL1395946 0.83 CHRNA7 (0.65) CHRNA7CHRNB4CHRNA3HTR3A
SCHEMBL1769897 0.83 CHRNA7 (0.62) CHRNA7CHRNB4CHRNA3NPC1RAB9A
SCHEMBL1769835 0.82 NPC1 (0.48) CHRNA7NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL498835 0.82 NPC1 (0.45) 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 31 patents — showing the first 20. 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-20110112078-A1 NOVEL OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2011-05-12 US claimed
EP-2288608-A1 NOVEL OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2011-03-02 EP claimed
US-7807667-B2 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl derivatives and their medical use NEUROSEARCH A/S (DK) 2010-10-05 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-2032575-B1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVE AND ITS MEDICAL USE NEUROSEARCH AS (DK) 2010-04-07 EP claimed
WO-2009150138-A1 NOVEL OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-12-17 WO claimed
US-20090118266-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE CANADIAN IMPERIAL BANK OF COMMERCE AS AGENT 2009-05-07 US claimed
EP-2032575-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
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
WO-2007138038-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-8106042-B2 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl derivatives useful as modulator of nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2012-01-31 US disclosed
EP-2032575-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
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
WO-2007138038-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 (4 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-20090118266-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE CHRNA3, CHRNA2, CHRNA5 CHRNA7 8/4885CHRNB4 10/4885CHRNA3 1/4885
US-20110112078-A1 NOVEL OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE CHRNA3, CHRNA6, CHRNA7 CHRNA7 3/4885CHRNB4 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.