SCHEMBL1556932

SCHEMBL1556932

c1cncc(N2CCC3(CCN3)C2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 1.00
CHRNA4 P43681 11/20 1.00
CHRNB4 P30926 6/20 0.86
CHRNA3 P32297 6/20 0.86
CHRNA7 P36544 5/20 0.86
CHRNA1 P02708 4/20 0.86
CHRNG P07510 4/20 0.86
CHRNB1 P11230 4/20 0.86
CHRND Q07001 4/20 0.86

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 SCHEMBL1499388 0.93 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Tc-2216 SCHEMBL1499391 0.93 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Tc-2216 SCHEMBL1499649 0.93 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Tc-2216 SCHEMBL1556869 0.92 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Tc-2216 SCHEMBL1762505 0.92 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Tc-2216 SCHEMBL1762621 0.92 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1557335 0.92 CHRNB2 (0.92) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1555876 0.91 CHRNB2 (0.84) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1616825 0.89 CHRNB2 (0.79) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Tc-2216 SCHEMBL6704987 0.88 CHRNB2 (0.90) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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
JP-4749715-B2 2011-08-17 JP claimed
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
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
EP-1519939-A2 N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF Targacept, Inc. (US) 2005-04-06 EP claimed
US-20040067930-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TARGACEPT, INC. 2004-04-08 US claimed
WO-2004005293-A2 N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. (US) 2004-01-15 WO claimed
US-20110105548-A1 N-ARYL DIAZASPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. (US) 2011-05-05 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-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
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
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 (5 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-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.