SCHEMBL498835

SCHEMBL498835

[O-][N+]12CCC(CC1)N(c1nnc(-c3ccc4c(c3)OCO4)o1)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.45
RAB9A P51151 10/20 0.45
SMN1; SMN2 Q16637 8/20 0.45
MAPT P10636 6/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
CHRNA7 P36544 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
POLB P06746 4/20 0.42
TP53 P04637 3/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 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
SCHEMBL1769835 0.87 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL3707910 0.77 CHRNA7 (0.44) CHRNA7POLBCHRNB4CHRNA3
SCHEMBL391952 0.75 CHRNA7 (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1CHRNA7
SCHEMBL12274238 0.73 CHRNA7 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1CHRNA7
Fumaric Acid SCHEMBL767250 0.71 CHRNA7 (0.48) NPC1RAB9ASMN1; SMN2MAPTKDM4E
Fumaric Acid SCHEMBL391501 0.68 CHRNA7 (0.55) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1395946 0.66 CHRNA7 (0.65) CHRNA7CHRNB4CHRNA3
SCHEMBL1769897 0.66 CHRNA7 (0.62) NPC1RAB9AMAPTCHRNA7CHRNB4
SCHEMBL24653524 0.65 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL30622710 0.65 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20110105478-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES USEFUL AS MODULATOR OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-05-05 US claimed
EP-2257550-A1 NOVEL 1,4-DIAZA-BICYCLOÝ3.2.2¨NONYL OXADIAZOLYL DERIVATIVES USEFUL AS MODULATOR OF NICOTINIC ACETYLCHOLINE RECEPTORS NeuroSearch A/S (DK) 2010-12-08 EP claimed
WO-2009112460-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES USEFUL AS MODULATOR OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2009-09-17 WO claimed
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
US-20110105478-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES USEFUL AS MODULATOR OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-05-05 US disclosed
EP-2257550-A1 NOVEL 1,4-DIAZA-BICYCLOÝ3.2.2¨NONYL OXADIAZOLYL DERIVATIVES USEFUL AS MODULATOR OF NICOTINIC ACETYLCHOLINE RECEPTORS NeuroSearch A/S (DK) 2010-12-08 EP disclosed
WO-2009112460-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES USEFUL AS MODULATOR OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2009-09-17 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 (1 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-20110105478-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES USEFUL AS MODULATOR OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA3, CHRNA2, CHRNA4 NPC1 2278/4885RAB9A 3627/4885SMN1; SMN2 192/4885

“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.