SCHEMBL4047306

SCHEMBL4047306

CCNC(=O)Nc1ccc(-c2ccc(C(=O)N3CC4CCC(C3)N4C)o2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
NPC1 O15118 1/20 0.42
SCN5A Q14524 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN10A Q9Y5Y9 2/20 0.40
MTOR P42345 9/20 0.40
PIK3CA P42336 5/20 0.40
ABCB1 P08183 1/20 0.39
PIK3CG P48736 1/20 0.39
RPTOR Q8N122 4/20 0.39
MLST8 Q9BVC4 4/20 0.39
MMP13 P45452 2/20 0.39
MAPKAPK2 P49137 1/20 0.38

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
SCHEMBL3451181 0.96 SCN5A (0.43) RAB9ANPC1SCN5ASCN2ASCN10A
SCHEMBL4046578 0.86 MMP13 (0.51) RAB9ANPC1SCN5ASCN2ASCN10A
SCHEMBL3450856 0.82 MMP13 (0.52) RAB9ANPC1SCN5ASCN2ASCN10A
SCHEMBL4050262 0.79 RAB9A (0.52) RAB9ANPC1SCN5ASCN2ASCN10A
SCHEMBL3393230 0.79 CHRNA7 (0.43) NPC1SCN5ASCN2ASCN10AMTOR
SCHEMBL3453027 0.78 PTPN1 (0.53) RAB9ANPC1SCN5ASCN2ASCN10A
SCHEMBL4048361 0.76 RAB9A (0.73) RAB9ANPC1
SCHEMBL5512059 0.76 ALDH1A1 (0.53) NPC1MTORPIK3CAABCB1PIK3CG
SCHEMBL3451824 0.75 RAB9A (0.50) RAB9ANPC1SCN5ASCN2ASCN10A
SCHEMBL4048359 0.74 NQO2 (0.54) RAB9ANPC1

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 2936/4885NPC1 1364/4885SCN5A 1101/4885

“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.