SCHEMBL3650804

SCHEMBL3650804

c1ccc(Oc2ccc(-c3nnc(N4CCN5CCC4CC5)o3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.70
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
HTR3A P46098 2/20 0.46
TLR8 Q9NR97 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL3652673 0.90 CHRNA7 (0.59) CHRNA7CHRNB4CHRNA3HTR3A
SCHEMBL2638541 0.89 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL1753505 0.89 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3HTR3ANPC1
SCHEMBL2112299 0.85 CHRNA7 (0.73) CHRNA7CHRNB4CHRNA3HTR3ANPC1
SCHEMBL3646515 0.84 CHRNA7 (0.57) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL3646588 0.83 CHRNA7 (0.70) CHRNA7CHRNB4CHRNA3HTR3ANPC1
SCHEMBL3646587 0.83 CHRNA7 (0.70) CHRNA7CHRNB4CHRNA3HTR3ANPC1
SCHEMBL3650329 0.83 CHRNA7 (0.70) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL3650799 0.83 CHRNA7 (0.70) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL1689175 0.82 CHRNA7 (1.00) CHRNA7CHRNB4CHRNA3HTR3ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280015-A1 NOVAL 1,4-DIAZA-BICLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2010-11-04 US claimed
EP-2190847-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2010-06-02 EP claimed
WO-2009024516-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2009-02-26 WO claimed
US-20100280015-A1 NOVAL 1,4-DIAZA-BICLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2010-11-04 US disclosed
EP-2190847-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2010-06-02 EP disclosed
WO-2009024516-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2009-02-26 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-20100280015-A1 NOVAL 1,4-DIAZA-BICLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA6, CHRNA5, CHRNA3 CHRNA7 4/4885CHRNB4 8/4885CHRNA3 3/4885

“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.