SCHEMBL3463880

SCHEMBL3463880

c1ncc(C2CC3(CCCN3)C2)cc1OC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
CHUK O15111 1/20 0.34
DYRK3 O43781 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34
RPS6KB1 P23443 1/20 0.34
AKT1 P31749 1/20 0.34
CLK2 P49760 1/20 0.34
PRKX P51817 1/20 0.34
PRKG2 Q13237 1/20 0.34
ROCK1 Q13464 1/20 0.34
DYRK1A Q13627 1/20 0.34
PRKG1 Q13976 1/20 0.34
PKN2 Q16513 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
HRH4 Q9H3N8 1/20 0.32
PDGFRB P09619 1/20 0.32

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
SCHEMBL3462875 0.93 CHRNB2 (0.39) CHRNB2CHRNA4CHUKDYRK3ROCK2
SCHEMBL3463853 0.90 CHRNB2 (0.40) CHRNB2CHRNA4CHUKDYRK3ROCK2
SCHEMBL3463582 0.83 CHRNB2 (0.38) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL3463748 0.80 CHRNB2 (0.40) CHRNB2CHRNA4CHUKDYRK3ROCK2
SCHEMBL3463089 0.80 CHRNB2 (0.34) CHRNB2CHRNA4
SCHEMBL3463640 0.79 CHRNB2 (0.35) CHRNB2CHRNA4
SCHEMBL3463616 0.78 CHRNB2 (0.36) CHRNB2CHRNA4
SCHEMBL3464524 0.77 CHRNB2 (0.38) CHRNB2CHRNA4
SCHEMBL3463652 0.76 CHRNB2 (0.43) CHRNB2CHRNA4CHUKDYRK3ROCK2
SCHEMBL3464342 0.76 CHRNB2 (0.34) CHRNB2CHRNA4HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240689-A1 N-ARYL AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. (US) 2010-09-23 US claimed
US-7754708-B2 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2010-07-13 US claimed
US-20080242689-A1 Analgesics, central nervous system disorders, obesity, side effect reduction BHATTI BALWINDER 2008-10-02 US claimed
US-7384929-B2 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2008-06-10 US claimed
EP-1802601-A1 AZASPIROALKENE AND AZAPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY Targacept, Inc. (US) 2007-07-04 EP claimed
US-20060074067-A1 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof BHATTI BALWINDER 2006-04-06 US claimed
WO-2006034089-A1 AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY TARGACEPT, INC. (US) 2006-03-30 WO claimed
US-20100240689-A1 N-ARYL AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. (US) 2010-09-23 US disclosed
US-7754708-B2 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2010-07-13 US disclosed
US-20080242689-A1 Analgesics, central nervous system disorders, obesity, side effect reduction BHATTI BALWINDER 2008-10-02 US disclosed
US-7384929-B2 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2008-06-10 US disclosed
EP-1802601-A1 AZASPIROALKENE AND AZAPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY Targacept, Inc. (US) 2007-07-04 EP disclosed
US-20060074067-A1 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof BHATTI BALWINDER 2006-04-06 US disclosed
WO-2006034089-A1 AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY TARGACEPT, INC. (US) 2006-03-30 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 (3 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-20100240689-A1 N-ARYL AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF MUSK, TNNC1, CHRNA5 CHRNB2 7/4885CHRNA4 22/4885CHUK 1738/4885
US-20060074067-A1 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof MUSK, TNNC1, CHRNA5 CHRNB2 7/4885CHRNA4 22/4885CHUK 1738/4885
US-20080242689-A1 Analgesics, central nervous system disorders, obesity, side effect reduction OPRL1, OPRK1, ACHE CHRNB2 15/4885CHRNA4 23/4885CHUK 914/4885

“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.