SCHEMBL373131

SCHEMBL373131

O=C(Nc1cccc2ccccc12)OC1CN2CCC1CC2

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.72
ATM Q13315 1/20 0.72
CHRM3 P20309 3/20 0.70
CHRM2 P08172 2/20 0.70
CHRM1 P11229 2/20 0.70
CHRNA7 P36544 4/20 0.68
BCHE P06276 1/20 0.68
ACHE P22303 1/20 0.68
ALDH1A1 P00352 1/20 0.63
MAPT P10636 1/20 0.60
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
MRGPRX1 Q96LB2 1/20 0.57

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
SCHEMBL4369409 0.84 GAA (0.58) GAAATMCHRM3CHRM2CHRM1
SCHEMBL12604471 0.84 GAA (1.00) GAAATMCHRM3CHRM2CHRM1
SCHEMBL12604472 0.84 GAA (0.73) GAAATMCHRM3CHRM2CHRM1
SCHEMBL12614417 0.84 GAA (0.73) GAAATMCHRM3CHRM2CHRM1
SCHEMBL7360364 0.84 GAA (0.73) GAAATMCHRM3CHRM2CHRM1
SCHEMBL9049295 0.82 CHRM3 (1.00) GAAATMCHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL9050386 0.81 CHRM3 (0.98) GAAATMCHRM3CHRM2CHRM1
SCHEMBL4084020 0.81 GAA (0.70) GAAATMCHRM3CHRM2CHRM1
SCHEMBL9051197 0.81 CHRM3 (0.80) GAAATMCHRM3CHRM2CHRM1
SCHEMBL10746941 0.81 GAA (0.70) GAAATMCHRM3CHRM2CHRM1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160835-A1 Methods and compositions for treatment of central nervous system disorders BENCHERIF MEROUANE 2006-07-20 US claimed
US-7067261-B2 Methods and compositions for treatment of central nervous system disorders TARGACEPT, INC. (US) 2006-06-27 US claimed
EP-0885221-B1 AZABICYCLIC ESTERS OF CARBAMIC ACIDS USEFUL IN THERAPY ASTRAZENECA AB (SE) 2002-06-12 EP claimed
US-5998429-A Azabicyclic esters of carbamic acids useful in therapy ASTRA AB (SE) 1999-12-07 US claimed
EP-0885221-A1 AZABICYCLIC ESTERS OF CARBAMIC ACIDS USEFUL IN THERAPY Astra Aktiebolag (SE) 1998-12-23 EP claimed
WO-1997030998-A1 AZABICYCLIC ESTERS OF CARBAMIC ACIDS USEFUL IN THERAPY ASTRA AKTIEBOLAG (SE) 1997-08-28 WO claimed
US-20140234270-A1 TREATMENT WTH ALPHAT SELECTIVE LIGANDS TARGACEPT, INC. (US) 2014-08-21 US disclosed
EP-2484363-A1 (2S,3R)-N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)-5-methylthiophene-2-carboxamide Targacept, Inc. (US) 2012-08-08 EP disclosed
EP-2409703-A1 Treatment with alpha7-selective ligands Targacept, Inc. (US) 2012-01-25 EP disclosed
US-20110262407-A1 TREATMENT WITH ALPHA7 SELECTIVE LIGANDS TARGACEPT, INC. (US) 2011-10-27 US disclosed
EP-2364150-A1 TREATMENT WITH ALPHA 7-SELECTIVE LIGANDS Targacept Inc. (US) 2011-09-14 EP disclosed
US-20110124678-A1 TREATMENT WITH ALPHA 7-SELECTIVE LIGANDS TARGACEPT, INC. (US) 2011-05-26 US disclosed
WO-2010056622-A1 TREATMENT WITH ALPHA α7-SELECTIVE LIGANDS TARGACEPT, INC. (US) 2010-05-20 WO disclosed
US-20060160835-A1 Methods and compositions for treatment of central nervous system disorders BENCHERIF MEROUANE 2006-07-20 US disclosed
US-7067261-B2 Methods and compositions for treatment of central nervous system disorders TARGACEPT, INC. (US) 2006-06-27 US disclosed
EP-0885221-B1 AZABICYCLIC ESTERS OF CARBAMIC ACIDS USEFUL IN THERAPY ASTRAZENECA AB (SE) 2002-06-12 EP disclosed
US-6054464-A Azabicyclic esters of carbamic acids useful in therapy ASTRA AKTIEBOLAG (SE) 2000-04-25 US disclosed
US-5998429-A Azabicyclic esters of carbamic acids useful in therapy ASTRA AB (SE) 1999-12-07 US disclosed
EP-0885221-A1 AZABICYCLIC ESTERS OF CARBAMIC ACIDS USEFUL IN THERAPY Astra Aktiebolag (SE) 1998-12-23 EP disclosed
WO-1997030998-A1 AZABICYCLIC ESTERS OF CARBAMIC ACIDS USEFUL IN THERAPY ASTRA AKTIEBOLAG (SE) 1997-08-28 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 (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-20060160835-A1 Methods and compositions for treatment of central nervous system disorders JAK2, ERBB2, ERBB3 GAA 4030/4885ATM 556/4885CHRM3 71/4885
US-20140234270-A1 TREATMENT WTH ALPHAT SELECTIVE LIGANDS CHRNA7, CHRNA2, CHRNA4 GAA 1053/4885ATM 3320/4885CHRM3 20/4885
US-20110124678-A1 TREATMENT WITH ALPHA 7-SELECTIVE LIGANDS CHRNA7, CHRNA1, CHRNG GAA 388/4885ATM 3778/4885CHRM3 12/4885
US-20110262407-A1 TREATMENT WITH ALPHA7 SELECTIVE LIGANDS CHRNA7, CHRNA4, CHRNA2 GAA 1287/4885ATM 3693/4885CHRM3 17/4885

“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.