SCHEMBL1555840

SCHEMBL1555840

c1cnnc(N2CCC3(CCNC3)C2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.59
▸ HSD17B10 Q99714 9/20 0.59
▸ CYP3A4 P08684 8/20 0.59
▸ HPGD P15428 5/20 0.59
▸ CYP2D6 P10635 10/20 0.50
▸ CYP1A2 P05177 7/20 0.50
▸ TSHR P16473 5/20 0.50
▸ USP2 O75604 6/20 0.49
▸ CYP2C19 P33261 5/20 0.49
▸ CYP2C9 P11712 3/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TP53 P04637 2/20 0.44
▸ PTPN11 Q06124 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ CDC42BPB Q9Y5S2 1/20 0.43
▸ CYP11B1 P15538 1/20 0.42
▸ KCNH2 Q12809 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
SCHEMBL30663939 0.84 ALDH1A1 (0.65) ALDH1A1HSD17B10CYP3A4HPGDCYP2D6
SCHEMBL20804673 0.81 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP3A4HPGDCYP2D6
SCHEMBL1556717 0.76 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP3A4HPGDCYP2D6
SCHEMBL1556831 0.75 CHRNB2 (0.60) ALDH1A1HSD17B10CYP3A4HPGDCYP2D6
SCHEMBL20455775 0.75 ALDH1A1 (0.83) ALDH1A1HSD17B10CYP3A4HPGDCYP2D6
SCHEMBL18618236 0.74 ALDH1A1 (0.51) ALDH1A1HSD17B10CYP3A4HPGDCYP2D6
SCHEMBL2834740 0.74 CYP3A4 (0.68) ALDH1A1HSD17B10CYP3A4HPGDCYP2D6
SCHEMBL1555894 0.73 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP3A4HPGDCYP2D6
SCHEMBL1555951 0.73 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP3A4HPGDCYP2D6
SCHEMBL1426810 0.73 CYP2D6 (0.82) ALDH1A1HSD17B10CYP3A4HPGDCYP2D6

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 26 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
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-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 ALDH1A1 1667/4885HSD17B10 2696/4885CYP3A4 125/4885
US-20200048267-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN ALDH1A1 3839/4885HSD17B10 2463/4885CYP3A4 4278/4885
US-20060217406-A1 N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TNNC1, ACHE, CHRNA6 ALDH1A1 1337/4885HSD17B10 2582/4885CYP3A4 140/4885
US-20050272739-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TNNC1, ACHE, CHRNA6 ALDH1A1 1337/4885HSD17B10 2582/4885CYP3A4 140/4885
US-20060058328-A1 Use of N-aryl diazaspiracyclic compounds in the treatment of addiction OPRD1, OPRK1, OPRL1 ALDH1A1 1126/4885HSD17B10 1206/4885CYP3A4 105/4885
US-20040067930-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TNNC1, ACHE, CHRNA6 ALDH1A1 1337/4885HSD17B10 2582/4885CYP3A4 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.

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