SCHEMBL4048304

SCHEMBL4048304

CN1C2CCC1CN(C(=O)c1ccc(-c3cccc(N)c3)o1)C2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
PDE4B Q07343 4/20 0.42
CHRNA7 P36544 1/20 0.42
ABCB1 P08183 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 2/20 0.41
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4050262 0.86 RAB9A (0.52) RAB9APDE4BMAPTALDH1A1KDM4E
SCHEMBL4047832 0.84 CHRNA7 (0.61) CHRNA7ALDH1A1KDM4E
SCHEMBL4048359 0.83 NQO2 (0.54) RAB9APDE4BCHRNA7NPC1
SCHEMBL3451824 0.81 RAB9A (0.50) RAB9APDE4BMAPTALDH1A1KDM4E
SCHEMBL4048361 0.76 RAB9A (0.73) RAB9APDE4BMAPTALDH1A1NPC1
SCHEMBL3326108 0.75 CHRNA7 (0.51) PDE4BCHRNA7MAPTALDH1A1KDM4E
SCHEMBL4046578 0.75 MMP13 (0.51) RAB9AMAPTALDH1A1NPC1MAPK1
SCHEMBL4491225 0.72 CHRNB2 (0.59) CHRNA7MAPTALDH1A1KDM4E
SCHEMBL5946808 0.72 CHRNA7 (0.46) RAB9APDE4BCHRNA7MAPTALDH1A1
SCHEMBL3451493 0.72 RAB9A (0.71) RAB9APDE4BMAPTALDH1A1NPC1

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
US-7612074-B2 Diazabicyclic aryl derivatives as cholinergy ligands NEUROSEARCH A/S (DK) 2009-11-03 US claimed
EP-1819709-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGY LIGANDS NEUROSEARCH AS (DK) 2009-02-11 EP claimed
US-20070265271-A1 Novel Diazabicyclic Aryl Derivatives as Cholinergy Ligands NEUROSEARCH A/S (DK) 2007-11-15 US claimed
EP-1819709-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGY LIGANDS NEUROSEARCH A/S (DK) 2007-08-22 EP claimed
WO-2006058879-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGY LIGANDS NEUROSEARCH A/S (DK) 2006-06-08 WO claimed
US-7612074-B2 Diazabicyclic aryl derivatives as cholinergy ligands NEUROSEARCH A/S (DK) 2009-11-03 US disclosed
EP-1819709-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGY LIGANDS NEUROSEARCH AS (DK) 2009-02-11 EP disclosed
US-20070265271-A1 Novel Diazabicyclic Aryl Derivatives as Cholinergy Ligands NEUROSEARCH A/S (DK) 2007-11-15 US disclosed
EP-1819709-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGY LIGANDS NEUROSEARCH A/S (DK) 2007-08-22 EP disclosed
WO-2006058879-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGY LIGANDS NEUROSEARCH A/S (DK) 2006-06-08 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-20070265271-A1 Novel Diazabicyclic Aryl Derivatives as Cholinergy Ligands CHRNA6, CHRNA10, CHRNA2 RAB9A 2936/4885PDE4B 217/4885CHRNA7 7/4885

“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.