SCHEMBL928745

SCHEMBL928745

O=C1CC2CC(CN2C(=O)OCc2ccccc2)N1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
HTR2C P28335 1/20 0.45
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
AGTR2 P50052 1/20 0.42
PARP1 P09874 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
CYP2C19 P33261 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
SCHEMBL20587394 0.90 AGTR2 (0.45) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL15409979 0.83 HTR2C (0.51) SMN1; SMN2NPC1RAB9APSEN1PSEN2
SCHEMBL286830 0.83 HTR2C (0.51) SMN1; SMN2NPC1RAB9APSEN1PSEN2
SCHEMBL927563 0.81 PSEN1 (0.49) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL12458051 0.81 PSEN1 (0.49) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL928026 0.80 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9APSEN1PSEN2
SCHEMBL2282075 0.77 HTR2C (0.52) SMN1; SMN2NPC1RAB9APSEN1PSEN2
SCHEMBL14218351 0.77 HTR2C (0.47) SMN1; SMN2NPC1RAB9APSEN1PSEN2
SCHEMBL5097684 0.76 NPC1 (0.51) SMN1; SMN2NPC1RAB9APSEN1PSEN2
SCHEMBL22001576 0.75 AGTR2 (0.47) SMN1; SMN2NPC1RAB9APSEN1PSEN2

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-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20110263629-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF TARGACEPT, INC. (US) 2011-10-27 US disclosed
EP-2344496-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF Targacept Inc. (US) 2011-07-20 EP disclosed
EP-2316836-A1 Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors Abbott Laboratories (US) 2011-05-04 EP disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
WO-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
WO-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
WO-2010028033-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF TARGACEPT, INC. (US) 2010-03-11 WO disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 US disclosed
WO-2008112734-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2008-09-18 WO disclosed
US-7399765-B2 Substituted diazabicycloalkane derivatives ABBOTT LABORATORIES (US) 2008-07-15 US disclosed
EP-1359152-B1 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LAB (US) 2008-05-07 EP disclosed
US-7265115-B2 Diazabicyclic CNS active agents ABBOTT LABORATORIES (US) 2007-09-04 US disclosed
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease ABBVIE INC. 2005-05-12 US disclosed
US-20030225268-A1 Diazabicyclic CNS active agents ABBVIE INC. 2003-12-04 US disclosed
EP-1359152-A2 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LABORATORIES (US) 2003-11-05 EP disclosed
EP-1147112-B1 DIAZABICYCLIC DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ABBOTT LAB (US) 2003-10-29 EP 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-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof HRH3, HRH4, HRH2 SMN1; SMN2 1591/4885NPC1 1938/4885RAB9A 796/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 SMN1; SMN2 1591/4885NPC1 1938/4885RAB9A 796/4885
US-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 SMN1; SMN2 819/4885NPC1 902/4885RAB9A 1215/4885
US-20110263629-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF CHRNA2, CHRNA10, CHRNA5 SMN1; SMN2 398/4885NPC1 1015/4885RAB9A 1686/4885
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease CHRNA7, CHRNA2, CHRNA6 SMN1; SMN2 1186/4885NPC1 303/4885RAB9A 1951/4885
US-20030225268-A1 Diazabicyclic CNS active agents GABRE, GRIN1, CNTN1 SMN1; SMN2 117/4885NPC1 440/4885RAB9A 579/4885

“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.