SCHEMBL1556517

SCHEMBL1556517

COC(=O)C1(CC[N+](=O)[O-])CCCN1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL1554888 0.89 KDM4E (0.44) ALDH1A1CYP2D6LMNA
SCHEMBL24998568 0.82 CYP2D6 (0.46) ALDH1A1CYP2D6TSHR
SCHEMBL16757153 0.79 MEN1 (0.44) ALDH1A1CYP2D6LMNA
SCHEMBL25000116 0.74 CYP2D6 (0.48) ALDH1A1CYP2D6TSHR
Hydrochloric Acid SCHEMBL10692524 0.73 CYP2D6 (0.47) ALDH1A1CYP2D6TSHR
Hydrochloric Acid SCHEMBL6951427 0.73 CYP2D6 (0.47) ALDH1A1CYP2D6TSHR
SCHEMBL21225368 0.72 CYP2D6 (0.46) ALDH1A1CYP2D6TSHR
SCHEMBL30067766 0.72 CYP2D6 (0.44) ALDH1A1CYP2D6TSHR
SCHEMBL15924824 0.71 CYP2D6 (0.45) ALDH1A1CYP2D6TSHR
SCHEMBL7382094 0.70 CYP2D6 (0.46) ALDH1A1CYP2D6TSHR

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
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-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
EP-1519939-A2 N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF Targacept, Inc. (US) 2005-04-06 EP disclosed
US-20040067930-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TARGACEPT, INC. 2004-04-08 US disclosed
WO-2004005293-A2 N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. (US) 2004-01-15 WO 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 ALDH1A1 1667/4885CYP2D6 44/4885LMNA 1674/4885
US-20110105548-A1 N-ARYL DIAZASPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TNNC1, ACHE, CHRNA6 ALDH1A1 1667/4885CYP2D6 44/4885LMNA 1674/4885
US-20060217406-A1 N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TNNC1, ACHE, CHRNA6 ALDH1A1 1337/4885CYP2D6 37/4885LMNA 1687/4885
US-20050272739-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TNNC1, ACHE, CHRNA6 ALDH1A1 1337/4885CYP2D6 37/4885LMNA 1687/4885
US-20060058328-A1 Use of N-aryl diazaspiracyclic compounds in the treatment of addiction OPRD1, OPRK1, OPRL1 ALDH1A1 1126/4885CYP2D6 40/4885LMNA 4365/4885
US-20040067930-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TNNC1, ACHE, CHRNA6 ALDH1A1 1337/4885CYP2D6 37/4885LMNA 1687/4885

“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.