SCHEMBL3463582

SCHEMBL3463582

COc1cncc(C2CC3(CCCN3)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.38
CHRNA4 P43681 11/20 0.38
CHRNA3 P32297 7/20 0.33
CHRNB4 P30926 6/20 0.33
IDO1 P14902 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33
PRKACA P17612 1/20 0.33
ROCK1 Q13464 1/20 0.33
DYRK1A Q13627 1/20 0.33
NTRK3 Q16288 1/20 0.33
PKN2 Q16513 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
STK17A Q9UEE5 1/20 0.33
HTR2C P28335 2/20 0.32
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31

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
SCHEMBL3463616 0.91 CHRNB2 (0.36) CHRNB2CHRNA4CHRNA3CHRNB4IDO1
SCHEMBL3463122 0.88 CHRNB2 (0.37) CHRNB2CHRNA4CHRNA3CHRNB4IDO1
SCHEMBL3463089 0.86 CHRNB2 (0.34) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB3
SCHEMBL3463880 0.83 CHRNB2 (0.40) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL3463640 0.82 CHRNB2 (0.35) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB3
SCHEMBL3464524 0.80 CHRNB2 (0.38) CHRNB2CHRNA4CHRNA3CHRNB4IDO1
SCHEMBL3464342 0.79 CHRNB2 (0.34) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL3464919 0.78 CHRNB2 (0.38) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB3
SCHEMBL3462951 0.78 CHRNB2 (0.33) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB3
SCHEMBL3463661 0.78 CHRNA1 (0.36) CHRNB2CHRNA4CHRNA3CHRNB4ROCK2

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 22/4885CHRNA3 10/4885
US-20060074067-A1 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof MUSK, TNNC1, CHRNA5 CHRNB2 7/4885CHRNA4 22/4885CHRNA3 10/4885
US-20080242689-A1 Analgesics, central nervous system disorders, obesity, side effect reduction OPRL1, OPRK1, ACHE CHRNB2 15/4885CHRNA4 23/4885CHRNA3 13/4885

“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.