SCHEMBL1556476

SCHEMBL1556476

c1ncc(N2CCC3(CCCN3)C2)cn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.70
CHRNA4 P43681 3/20 0.70
CHRNB4 P30926 2/20 0.70
CHRNA3 P32297 2/20 0.70
CHRNA1 P02708 1/20 0.70
CHRNG P07510 1/20 0.70
CHRNB1 P11230 1/20 0.70
CHRNA7 P36544 1/20 0.70
CHRND Q07001 1/20 0.70
ROCK1 Q13464 13/20 0.53
CDC42BPB Q9Y5S2 13/20 0.53
ROCK2 O75116 7/20 0.49
CDC42BPA Q5VT25 6/20 0.49
JAK3 P52333 1/20 0.49
HRH4 Q9H3N8 1/20 0.44
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
RPS6KA5 O75582 1/20 0.39
CHEK2 O96017 1/20 0.39
MAPK3 P27361 1/20 0.39

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
Tc-2216 SCHEMBL6704987 0.89 CHRNB2 (0.90) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Tc-2216 SCHEMBL1499391 0.82 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Tc-2216 SCHEMBL1499388 0.82 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Tc-2216 SCHEMBL1499649 0.82 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Tc-2216 SCHEMBL1762621 0.81 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Tc-2216 SCHEMBL1556869 0.81 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Tc-2216 SCHEMBL1762505 0.81 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL1557335 0.79 CHRNB2 (0.92) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL1556496 0.78 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL1557196 0.78 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1519939-B9 N-ARYL DIAZASPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT INC (US) 2011-04-06 EP claimed
EP-1519939-B1 N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT INC (US) 2009-12-09 EP claimed
US-20060058328-A1 Use of N-aryl diazaspiracyclic compounds in the treatment of addiction BHATTI BALWINDER S 2006-03-16 US claimed
US-20110105548-A1 N-ARYL DIAZASPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. (US) 2011-05-05 US disclosed
US-7923559-B2 7-(3-pyridyl)-1,7-diazaspiro[4.4]nonane; mania, anxiety, dyslexia, schizophrenia, depression, obsessive-compulsive disorders, Tourette's syndrome TARGACEPT, INC. (US) 2011-04-12 US disclosed
EP-1519939-B9 N-ARYL DIAZASPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT INC (US) 2011-04-06 EP disclosed
EP-1519939-B1 N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT INC (US) 2009-12-09 EP disclosed
EP-2078718-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof Targacept, Inc. (US) 2009-07-15 EP disclosed
US-20080214591-A1 N-Aryl Diazaspirocyclic Compounds and Methods of Preparation and Use Thereof BHATTI BALWINDER S 2008-09-04 US disclosed
US-7375110-B2 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2008-05-20 US disclosed
US-7291731-B2 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2007-11-06 US disclosed
EP-1784184-A2 THE USE OF N-ARYL DIAZASPIRACYCLIC COMPOUNDS IN THE TREATMENT OF ADDICTION Targacept, Inc. (US) 2007-05-16 EP disclosed
US-20060217406-A1 N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF BHATTI BALWINDER S 2006-09-28 US disclosed
US-20060058328-A1 Use of N-aryl diazaspiracyclic compounds in the treatment of addiction BHATTI BALWINDER S 2006-03-16 US disclosed
WO-2006023630-A2 THE USE OF N-ARYL DIAZASPIRACYCLIC COMPOUNDS IN THE TREATMENT OF ADDICTION TARGACEPT, INC. (US) 2006-03-02 WO disclosed
US-20050272739-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof BHATTI BALWINDER S 2005-12-08 US disclosed
US-6956042-B2 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2005-10-18 US disclosed
EP-1519939-A2 N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF Targacept, Inc. (US) 2005-04-06 EP disclosed
US-20040067930-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TARGACEPT, INC. 2004-04-08 US disclosed
WO-2004005293-A2 N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. (US) 2004-01-15 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 (6 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-20080214591-A1 N-Aryl Diazaspirocyclic Compounds and Methods of Preparation and Use Thereof TNNC1, ACHE, CHRNA6 CHRNB2 15/4885CHRNA4 12/4885CHRNB4 21/4885
US-20110105548-A1 N-ARYL DIAZASPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TNNC1, ACHE, CHRNA6 CHRNB2 15/4885CHRNA4 12/4885CHRNB4 21/4885
US-20060217406-A1 N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TNNC1, ACHE, CHRNA6 CHRNB2 14/4885CHRNA4 9/4885CHRNB4 19/4885
US-20050272739-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TNNC1, ACHE, CHRNA6 CHRNB2 14/4885CHRNA4 9/4885CHRNB4 19/4885
US-20060058328-A1 Use of N-aryl diazaspiracyclic compounds in the treatment of addiction OPRD1, OPRK1, OPRL1 CHRNB2 104/4885CHRNA4 66/4885CHRNB4 134/4885
US-20040067930-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TNNC1, ACHE, CHRNA6 CHRNB2 14/4885CHRNA4 9/4885CHRNB4 19/4885

“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.