SCHEMBL372772

SCHEMBL372772

O=C(C=Cc1ccccc1)N1CCN2CCC1CC2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.54
HTR3A P46098 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
CYP3A4 P08684 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.49
CHRNA3 P32297 1/20 0.48
CYP2C19 P33261 1/20 0.47
ABCB1 P08183 1/20 0.46

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
SCHEMBL4031691 0.81 HCAR2 (0.48) CHRNA7HTR3AMAPTCHRNA3
SCHEMBL13887191 0.81 CHRNA7 (0.46) CHRNA7HTR3AKMT2ACHRNA3
SCHEMBL4030339 0.81 GUSB (0.41) CHRNA7HTR3ACHRNA3
SCHEMBL4029838 0.81 CHRNA7 (0.46) CHRNA7HTR3AKMT2ACHRNA3
SCHEMBL13887190 0.79 ALDH1A1 (0.55) CHRNA7HTR3AMEN1KMT2ARAB9A
SCHEMBL4029530 0.79 ALDH1A1 (0.55) CHRNA7HTR3AMEN1KMT2ARAB9A
SCHEMBL4027798 0.78 CHRNA7 (0.58) CHRNA7MEN1KMT2ARAB9ANPC1
SCHEMBL13887379 0.78 CHRNA7 (0.58) CHRNA7MEN1KMT2ARAB9ANPC1
SCHEMBL4027623 0.78 HPGD (0.60) CHRNA7HTR3ARAB9ANPC1SMN1; SMN2
SCHEMBL4032211 0.74 CHRNA7 (0.51) CHRNA7HTR3AHPGDCHRNA3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539764-B1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. ASTRAZENECA AB (SE) 2009-04-29 EP claimed
US-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2006-03-09 US claimed
EP-1539764-A1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. AstraZeneca AB (SE) 2005-06-15 EP claimed
WO-2004016616-A1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. ASTRAZENECA AB (SE) 2004-02-26 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
WO-2010056622-A1 TREATMENT WITH ALPHA α7-SELECTIVE LIGANDS TARGACEPT, INC. (US) 2010-05-20 WO disclosed
EP-2185152-A2 ALPHA7 NACHR AGONISTS FOR TREATING OR PREVENTING METABOLIC DISORDERS Targacept Inc. (US) 2010-05-19 EP disclosed
EP-1539764-B1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. ASTRAZENECA AB (SE) 2009-04-29 EP disclosed
WO-2009018511-A2 ALPHA7 NACHR AGONISTS FOR TREATING OR PREVENTING METABOLIC DISORDERS TARGACEPT, INC. (US) 2009-02-05 WO disclosed
US-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2006-03-09 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 (3 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-20140234270-A1 TREATMENT WTH ALPHAT SELECTIVE LIGANDS CHRNA7, CHRNA2, CHRNA4 CHRNA7 1/4885HTR3A 234/4885MEN1 3870/4885
US-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists CHRNA7, CHRNB1, CHRNA1 CHRNA7 1/4885HTR3A 202/4885MEN1 2886/4885
US-20110262407-A1 TREATMENT WITH ALPHA7 SELECTIVE LIGANDS CHRNA7, CHRNA4, CHRNA2 CHRNA7 1/4885HTR3A 214/4885MEN1 4165/4885

“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.