SCHEMBL3391064

SCHEMBL3391064

O=C(Nc1ccccc1)Nc1cccc(-c2ccc(C(=O)N3CCN4CCC3CC4)o2)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.46
NQO2 P16083 1/20 0.44
PDE5A O76074 2/20 0.42
MGLL Q99685 1/20 0.42
PDE4B Q07343 3/20 0.40
CNR1 P21554 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL3390148 0.91 CHRNA7 (0.48) CHRNA7PDE5APDE4BCHRM2CHRM4
SCHEMBL3613691 0.90 MEN1 (0.50) CHRNA7NQO2PDE5ACHRM2CHRM4
SCHEMBL3327886 0.89 NQO2 (0.53) CHRNA7NQO2PDE5APDE4BKDM4E
SCHEMBL3394734 0.89 CHRNA7 (0.46) CHRNA7NQO2PDE5AKDM4EALDH1A1
SCHEMBL3393545 0.87 DGAT1 (0.46) CHRNA7PDE4BKDM4EALDH1A1MAPT
SCHEMBL373086 0.85 CHRNA7 (0.58) CHRNA7PDE4BALDH1A1MAPTHPGD
SCHEMBL3390921 0.84 CHRNA7 (0.54) CHRNA7MAPT
SCHEMBL3393420 0.83 CHRNA7 (0.46) CHRNA7PDE5APDE4BCHRM2CHRM4
SCHEMBL3391632 0.82 HPGD (0.47) CHRNA7KDM4EALDH1A1MAPTHPGD
SCHEMBL3326108 0.81 CHRNA7 (0.51) CHRNA7PDE5APDE4BKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713810-B1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH AS (DK) 2010-12-29 EP claimed
US-20100130482-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS PETERS DAN 2010-05-27 US claimed
US-20080227772-A1 Diazabicyclic Aryl Derivatives as Nicotinic Acetylcholine Receptor Ligands NEUROSEARCH A/S 2008-09-18 US claimed
EP-1713810-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2006-10-25 EP claimed
WO-2005075482-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2005-08-18 WO claimed
EP-1713810-B1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH AS (DK) 2010-12-29 EP disclosed
US-20100130482-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS PETERS DAN 2010-05-27 US disclosed
US-20080227772-A1 Diazabicyclic Aryl Derivatives as Nicotinic Acetylcholine Receptor Ligands NEUROSEARCH A/S 2008-09-18 US disclosed
EP-1713810-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2006-10-25 EP disclosed
WO-2005075482-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2005-08-18 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-20100130482-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA6, CHRNA10, CHRNA2 CHRNA7 5/4885NQO2 1114/4885PDE5A 700/4885
US-20080227772-A1 Diazabicyclic Aryl Derivatives as Nicotinic Acetylcholine Receptor Ligands CHRNA6, CHRNA10, CHRNA2 CHRNA7 5/4885NQO2 1114/4885PDE5A 700/4885

“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.