SCHEMBL3393230

SCHEMBL3393230

CCNC(=O)Nc1ccc(-c2ccc(C(=O)N3CCN4CCC3CC4)o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.43
PIK3CA P42336 7/20 0.41
MTOR P42345 6/20 0.41
PIK3CG P48736 1/20 0.41
ABCB1 P08183 1/20 0.41
PIK3CD O00329 3/20 0.41
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN10A Q9Y5Y9 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
SCHEMBL3391378 0.94 CHRNA7 (0.41) CHRNA7PIK3CAMTORPIK3CGABCB1
SCHEMBL3394734 0.89 CHRNA7 (0.46) CHRNA7MAPT
SCHEMBL3391632 0.88 HPGD (0.47) CHRNA7MAPTNPC1
SCHEMBL3328026 0.88 CHRNA7 (0.45) CHRNA7MAPTNPC1SCN5ASCN2A
SCHEMBL3390148 0.87 CHRNA7 (0.48) CHRNA7MAPTNPC1
SCHEMBL3331566 0.86 MMP13 (0.48) CHRNA7MAPTNPC1SCN5ASCN2A
SCHEMBL3326849 0.84 CHRNA7 (0.45) CHRNA7MAPTNPC1SCN5ASCN2A
Cyclopropane SCHEMBL3837252 0.83 CHRNA7 (0.46) CHRNA7MAPTNPC1SCN5ASCN2A
SCHEMBL3388415 0.83 PDE5A (0.43) CHRNA7NPC1
SCHEMBL3326221 0.82 CHRNA7 (0.45) CHRNA7MAPTNPC1SCN5ASCN2A

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 5/4885PIK3CA 2557/4885MTOR 3147/4885
US-20080227772-A1 Diazabicyclic Aryl Derivatives as Nicotinic Acetylcholine Receptor Ligands CHRNA6, CHRNA10, CHRNA2 CHRNA7 5/4885PIK3CA 2557/4885MTOR 3147/4885

“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.