SCHEMBL1556501

SCHEMBL1556501

c1ncc(N2CCC3(CCNC3)C2)cn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.52
ALDH1A1 P00352 7/20 0.52
CYP3A4 P08684 7/20 0.52
USP2 O75604 5/20 0.52
CYP1A2 P05177 4/20 0.52
HSD17B10 Q99714 4/20 0.48
CYP2C19 P33261 4/20 0.48
TP53 P04637 2/20 0.48
MAPK1 P28482 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 5/20 0.48
ROCK1 Q13464 5/20 0.46
CDC42BPB Q9Y5S2 5/20 0.46
ROCK2 O75116 4/20 0.46
CYP11B1 P15538 1/20 0.46
CYP2C9 P11712 1/20 0.46
KHK P50053 1/20 0.43
CDC42BPA Q5VT25 2/20 0.41
PTPN11 Q06124 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
SCHEMBL2638873 0.89 CHRNB2 (0.55) CYP2D6ALDH1A1CYP3A4USP2CYP1A2
SCHEMBL1556831 0.82 CHRNB2 (0.60) CYP2D6ALDH1A1CYP3A4USP2CYP1A2
SCHEMBL20468861 0.82 ALDH1A1 (0.50) CYP2D6ALDH1A1CYP3A4USP2CYP1A2
SCHEMBL20468876 0.81 ALDH1A1 (0.47) CYP2D6ALDH1A1CYP3A4USP2CYP1A2
SCHEMBL2834740 0.81 CYP3A4 (0.68) CYP2D6ALDH1A1CYP3A4USP2CYP1A2
SCHEMBL6231833 0.81 CHRNB2 (0.46) CYP2D6ALDH1A1CYP3A4USP2CYP1A2
Hydrochloric Acid SCHEMBL485785 0.80 CYP3A4 (0.67) CYP2D6ALDH1A1CYP3A4USP2CYP1A2
SCHEMBL1556724 0.79 CHRNB2 (0.61) CYP2D6ALDH1A1CYP3A4USP2CYP1A2
SCHEMBL20468877 0.78 CYP2D6 (0.44) CYP2D6ALDH1A1CYP3A4USP2CYP1A2
SCHEMBL1556624 0.78 ALDH1A1 (0.44) CYP2D6ALDH1A1CYP3A4USP2CYP1A2

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
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-20040067930-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TARGACEPT, INC. 2004-04-08 US claimed
US-20200048267-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2020-02-13 US disclosed
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
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
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-20110105548-A1 N-ARYL DIAZASPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TNNC1, ACHE, CHRNA6 CYP2D6 44/4885ALDH1A1 1667/4885CYP3A4 125/4885
US-20200048267-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN CYP2D6 4092/4885ALDH1A1 3839/4885CYP3A4 4278/4885
US-20060217406-A1 N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TNNC1, ACHE, CHRNA6 CYP2D6 37/4885ALDH1A1 1337/4885CYP3A4 140/4885
US-20050272739-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TNNC1, ACHE, CHRNA6 CYP2D6 37/4885ALDH1A1 1337/4885CYP3A4 140/4885
US-20060058328-A1 Use of N-aryl diazaspiracyclic compounds in the treatment of addiction OPRD1, OPRK1, OPRL1 CYP2D6 40/4885ALDH1A1 1126/4885CYP3A4 105/4885
US-20040067930-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TNNC1, ACHE, CHRNA6 CYP2D6 37/4885ALDH1A1 1337/4885CYP3A4 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.