SCHEMBL1617142

SCHEMBL1617142

c1cncc(N2CCCC3(CCCN3)C2)c1

nearest known ligand 0.90

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.90
CHRNA4 P43681 7/20 0.90
CHRNB4 P30926 4/20 0.90
CHRNA3 P32297 4/20 0.90
CHRNA1 P02708 3/20 0.90
CHRNG P07510 3/20 0.90
CHRNB1 P11230 3/20 0.90
CHRNA7 P36544 3/20 0.90
CHRND Q07001 3/20 0.90
ROCK1 Q13464 8/20 0.49
CDC42BPB Q9Y5S2 8/20 0.49
ROCK2 O75116 6/20 0.49
CDC42BPA Q5VT25 5/20 0.49

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
SCHEMBL1616562 0.96 CHRNB2 (0.82) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL1555876 0.96 CHRNB2 (0.84) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Tc-2216 SCHEMBL1499388 0.94 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Tc-2216 SCHEMBL1499391 0.94 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Tc-2216 SCHEMBL1499649 0.94 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Tc-2216 SCHEMBL1556869 0.93 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Tc-2216 SCHEMBL1762621 0.93 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Tc-2216 SCHEMBL1762505 0.93 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL1557335 0.90 CHRNB2 (0.92) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL1557271 0.90 CHRNB2 (0.82) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784184-A2 THE USE OF N-ARYL DIAZASPIRACYCLIC COMPOUNDS IN THE TREATMENT OF ADDICTION Targacept, Inc. (US) 2007-05-16 EP claimed
US-20060058328-A1 Use of N-aryl diazaspiracyclic compounds in the treatment of addiction BHATTI BALWINDER S 2006-03-16 US claimed
WO-2006023630-A2 THE USE OF N-ARYL DIAZASPIRACYCLIC COMPOUNDS IN THE TREATMENT OF ADDICTION TARGACEPT, INC. (US) 2006-03-02 WO claimed
US-20040067930-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TARGACEPT, INC. 2004-04-08 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-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
US-20040067930-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TARGACEPT, INC. 2004-04-08 US 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.