SCHEMBL1556624

SCHEMBL1556624

C#Cc1cncc(N2CCC3(CCNC3)C2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
CYP2D6 P10635 5/20 0.44
CYP3A4 P08684 5/20 0.44
CYP1A2 P05177 4/20 0.44
USP2 O75604 3/20 0.44
CYP11B1 P15538 1/20 0.42
HSD17B10 Q99714 4/20 0.41
CYP2C19 P33261 3/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
CHRNB2 P17787 7/20 0.41
CHRNA4 P43681 7/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.40
KHK P50053 1/20 0.40
CYP2C9 P11712 1/20 0.39
PTPN11 Q06124 1/20 0.37

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
SCHEMBL16430929 0.81 CYP2D6 (0.47) ALDH1A1CYP2D6CYP3A4USP2CYP2C19
SCHEMBL20468876 0.81 ALDH1A1 (0.47) ALDH1A1CYP2D6CYP3A4CYP1A2USP2
SCHEMBL1556724 0.79 CHRNB2 (0.61) ALDH1A1CYP2D6CYP3A4CYP1A2USP2
SCHEMBL1556501 0.78 CYP2D6 (0.52) ALDH1A1CYP2D6CYP3A4CYP1A2USP2
SCHEMBL20468877 0.78 CYP2D6 (0.44) ALDH1A1CYP2D6CYP3A4CYP1A2USP2
SCHEMBL25614298 0.76 CHRNB2 (0.40) CYP11B1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3186217 0.75 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL1557196 0.75 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL1555920 0.75 CYP2D6 (0.53) ALDH1A1CYP2D6CYP3A4CYP1A2USP2
SCHEMBL1556831 0.74 CHRNB2 (0.60) ALDH1A1CYP2D6CYP3A4CYP1A2USP2

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 25 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-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-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 (4 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 ALDH1A1 1667/4885CYP2D6 44/4885CYP3A4 125/4885
US-20050272739-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TNNC1, ACHE, CHRNA6 ALDH1A1 1337/4885CYP2D6 37/4885CYP3A4 140/4885
US-20060058328-A1 Use of N-aryl diazaspiracyclic compounds in the treatment of addiction OPRD1, OPRK1, OPRL1 ALDH1A1 1126/4885CYP2D6 40/4885CYP3A4 105/4885
US-20040067930-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TNNC1, ACHE, CHRNA6 ALDH1A1 1337/4885CYP2D6 37/4885CYP3A4 140/4885

“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.