SCHEMBL466916

SCHEMBL466916

NCN1C2CCC1CC(OC(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.68
DRD3 P35462 3/20 0.68
SLC6A2 P23975 2/20 0.68
SLC6A3 Q01959 2/20 0.68
CHRM2 P08172 1/20 0.68
CHRM4 P08173 1/20 0.68
CHRM5 P08912 1/20 0.68
ADRA2A P08913 1/20 0.68
CHRM1 P11229 1/20 0.68
ADRA2B P18089 1/20 0.68
ADRA2C P18825 1/20 0.68
CHRM3 P20309 1/20 0.68
DRD1 P21728 1/20 0.68
HRH2 P25021 1/20 0.68
ADRA1D P25100 1/20 0.68
HTR2A P28223 1/20 0.68
HTR2C P28335 1/20 0.68
SLC6A4 P31645 1/20 0.68
ADRA1A P35348 1/20 0.68
HRH1 P35367 1/20 0.68

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
SCHEMBL11395839 0.88 SLC6A3 (0.76) DRD2DRD3SLC6A2SLC6A3CHRM2
Ethybenztropine SCHEMBL29690837 0.85 DRD2 (0.72) DRD2DRD3SLC6A2SLC6A3CHRM2
Ethybenztropine SCHEMBL1649586 0.85 DRD2 (0.72) DRD2DRD3SLC6A2SLC6A3CHRM2
SCHEMBL6462147 0.85 DRD2 (0.68) DRD2DRD3SLC6A2SLC6A3CHRM2
Ethybenztropine SCHEMBL250682 0.85 DRD2 (0.72) DRD2DRD3SLC6A2SLC6A3CHRM2
Ethybenztropine SCHEMBL250681 0.85 DRD2 (0.72) DRD2DRD3SLC6A2SLC6A3CHRM2
SCHEMBL11399038 0.81 DRD2 (0.62) DRD2DRD3SLC6A2SLC6A3CHRM2
Benztropine SCHEMBL35390 0.81 DRD2 (1.00) DRD2DRD3SLC6A2SLC6A3CHRM2
Benztropine SCHEMBL5960155 0.81 DRD2 (1.00) DRD2DRD3SLC6A2SLC6A3CHRM2
Benztropine SCHEMBL8659140 0.81 DRD2 (1.00) DRD2DRD3SLC6A2SLC6A3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170112829-A1 USE OF COMPOUNDS BINDING TO THE SIGMA RECEPTOR LIGANDS FOR THE TREATMENT OF NEUROPATHIC PAIN DEVELOPING AS A CONSEQUENCE OF CHEMOTHERAPY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-04-27 US claimed
US-20110052723-A1 USE OF COMPOUNDS BINDING TO THE SIGMA RECEPTOR LIGANDS FOR THE TREATMENT OF NEUROPATHIC PAIN DEVELOPING AS A CONSEQUENCE OF CHEMOTHERAPY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-03-03 US claimed
WO-2010101649-A2 SIGMA 1 RECEPTOR INHIBITION AS A NOVEL THERAPEUTICAL APPROACH AGAINST HEPATITIS C VIRUS INFECTION GASTAMINZA PABLO (US) 2010-09-10 WO claimed
US-20090325975-A1 Use of compounds binding to the sigma receptor for the treatment of diabetes-associated pain LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-12-31 US claimed
EP-2090311-A1 Use of compounds binding to the sigma receptor ligands for the treatment of neuropathic pain developing as a consequence of chemotherapy Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-08-19 EP claimed
US-20090181976-A1 Use of Compounds Binding to the Sigma Receptor for the Treatment of Metabolic Syndrome LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-07-16 US claimed
US-20090042898-A1 USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECANICAL ALLODYNIA LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-02-12 US claimed
EP-1829534-A1 Use of compounds binding to the sigma receptor for the treatment of metabolic syndrome LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP claimed
EP-1787679-A1 Use of compounds binding to the sigma receptor for the treatment of diabetes-associated pain LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-23 EP claimed
EP-2723336-B1 COMPOSITIONS FOR THE TREATMENT OF FRAGILE X SYNDROME CENTRE NAT RECH SCIENT (FR) 2020-04-08 EP disclosed
US-10435366-B2 Compositions for the treatment of Fragile X syndrome CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-10-08 US disclosed
EP-2600863-B1 USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA ESTEVE LABOR DR (ES) 2018-03-28 EP disclosed
US-9844516-B2 Sigma ligands for use in the prevention and/or treatment of post-operative pain Laboratorios De Dr. Esteve (ES) 2017-12-19 US disclosed
US-9789115-B2 Use of sigma ligands in opioid-induced hyperalgesia LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-10-17 US disclosed
US-20080009551-A1 Methods and Compositions for Identifying Modulators of G Protein-Coupled Receptors ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
EP-1829534-A1 Use of compounds binding to the sigma receptor for the treatment of metabolic syndrome LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP disclosed
EP-1787679-A1 Use of compounds binding to the sigma receptor for the treatment of diabetes-associated pain LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-23 EP disclosed
WO-2007050741-A2 COMPOSITIONS FOR TREATING FRAGILE X AND OTHER DISORDERS METHODS OF USE THEREOF AND SCREENING FOR COMPOUNDS FOR FRAGILE X AND OTHER DISORDERS EMORY UNIVERSITY (US) 2007-05-03 WO disclosed
WO-2007025055-A2 BENZTROPINE COMPOUNDS AND USES THEREOF AS DOPAMINE UPTAKE INHIBITORS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-03-01 WO disclosed
WO-2004099419-A2 METHODS AND COMPOSITIONS FOR IDENTIFYING MODULATORS OF G PROTEIN-COUPLED RECEPTORS ARENA PHARMACEUTICALS, INC. (US) 2004-11-18 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 (2 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-20090042898-A1 USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECANICAL ALLODYNIA OPRM1, OPRL1, OPRK1 DRD2 240/4885DRD3 345/4885SLC6A2 183/4885
US-20090181976-A1 Use of Compounds Binding to the Sigma Receptor for the Treatment of Metabolic Syndrome SIGMAR1, GPR119, TMEM97 DRD2 265/4885DRD3 319/4885SLC6A2 80/4885

“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.