SCHEMBL1556835

SCHEMBL1556835

Clc1ccc(N2CCC3(CCNC3)C2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.61
CHRNA3 P32297 4/20 0.61
CHRNB2 P17787 4/20 0.61
CHRNA4 P43681 4/20 0.61
ALDH1A1 P00352 5/20 0.50
CYP1A2 P05177 4/20 0.50
CYP2D6 P10635 4/20 0.50
CYP3A4 P08684 4/20 0.50
USP2 O75604 3/20 0.50
HSD17B10 Q99714 4/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 2/20 0.49
MAPK1 P28482 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.46
PTPN11 Q06124 1/20 0.45
KHK P50053 1/20 0.44
ROCK1 Q13464 1/20 0.42
CDC42BPB Q9Y5S2 1/20 0.42

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
SCHEMBL1426895 0.84 ALDH1A1 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL20468858 0.84 ALDH1A1 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL1426558 0.83 CYP2D6 (0.61) ALDH1A1CYP1A2CYP2D6CYP3A4USP2
SCHEMBL5389142 0.81 CHRNB2 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL20468861 0.79 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2D6CYP3A4USP2
SCHEMBL1556831 0.77 CHRNB2 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL20038149 0.76 ALDH1A1 (0.61) CHRNB2CHRNA4ALDH1A1CYP1A2CYP2D6
SCHEMBL20842185 0.76 CYP2D6 (0.60) ALDH1A1CYP1A2CYP2D6CYP3A4USP2
SCHEMBL20455740 0.76 CYP2D6 (0.60) ALDH1A1CYP1A2CYP2D6CYP3A4USP2
SCHEMBL1556501 0.76 CYP2D6 (0.52) ALDH1A1CYP1A2CYP2D6CYP3A4USP2

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 27 patents — showing the first 20. 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
US-6956042-B2 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2005-10-18 US 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-20200048267-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2020-02-13 US disclosed
WO-2018141984-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2018-08-09 WO disclosed
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
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 (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 CHRNB4 21/4885CHRNA3 14/4885CHRNB2 15/4885
US-20200048267-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN CHRNB4 1999/4885CHRNA3 1685/4885CHRNB2 1838/4885
US-20050272739-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TNNC1, ACHE, CHRNA6 CHRNB4 19/4885CHRNA3 11/4885CHRNB2 14/4885
US-20060058328-A1 Use of N-aryl diazaspiracyclic compounds in the treatment of addiction OPRD1, OPRK1, OPRL1 CHRNB4 134/4885CHRNA3 81/4885CHRNB2 104/4885
US-20040067930-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TNNC1, ACHE, CHRNA6 CHRNB4 19/4885CHRNA3 11/4885CHRNB2 14/4885

“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.