SCHEMBL1554888

SCHEMBL1554888

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1556517 0.89 ALDH1A1 (0.41) LMNACYP2D6ALDH1A1
SCHEMBL16757153 0.77 MEN1 (0.44) KDM4EGAALMNACYP3A4CYP2D6
SCHEMBL9546413 0.77 CYP3A4 (0.52) KDM4EGAALMNACYP3A4CYP2D6
SCHEMBL24998568 0.73 CYP2D6 (0.46) CYP3A4CYP2D6ALDH1A1
SCHEMBL30067766 0.72 CYP2D6 (0.44) CYP3A4CYP2D6MEN1KMT2AALDH1A1
SCHEMBL23043010 0.71 MEN1 (0.47) KDM4EGAALMNACYP3A4CYP2D6
SCHEMBL18063152 0.71 KDM4E (0.47) KDM4EGAALMNACYP3A4CYP2D6
SCHEMBL7382094 0.71 CYP2D6 (0.46) CYP3A4CYP2D6MEN1KMT2AALDH1A1
SCHEMBL11301180 0.70 CYP3A4 (0.53) KDM4EGAALMNACYP3A4CYP2D6
SCHEMBL14673484 0.70

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 KDM4E 3731/4885GAA 1231/4885LMNA 1674/4885
US-20110105548-A1 N-ARYL DIAZASPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TNNC1, ACHE, CHRNA6 KDM4E 3731/4885GAA 1231/4885LMNA 1674/4885
US-20060217406-A1 N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TNNC1, ACHE, CHRNA6 KDM4E 3542/4885GAA 1112/4885LMNA 1687/4885
US-20050272739-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TNNC1, ACHE, CHRNA6 KDM4E 3542/4885GAA 1112/4885LMNA 1687/4885
US-20060058328-A1 Use of N-aryl diazaspiracyclic compounds in the treatment of addiction OPRD1, OPRK1, OPRL1 KDM4E 1944/4885GAA 308/4885LMNA 4365/4885
US-20040067930-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TNNC1, ACHE, CHRNA6 KDM4E 3542/4885GAA 1112/4885LMNA 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.