SCHEMBL491565

SCHEMBL491565

Clc1ccc(CCCC(CCN2CCCCC2)OC(CCCc2ccc(Cl)cc2)CCN2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.60
HRH1 P35367 3/20 0.60
SLC6A2 P23975 2/20 0.60
CHRM2 P08172 1/20 0.60
ADRA2C P18825 1/20 0.60
SLC6A4 P31645 1/20 0.60
SLC6A3 Q01959 1/20 0.60
KCNH2 Q12809 1/20 0.60
CACNA1C Q13936 1/20 0.60
SCN5A Q14524 1/20 0.60
SIGMAR1 Q99720 2/20 0.59
CHRM4 P08173 1/20 0.59
HTR2C P28335 1/20 0.59
HTR7 P34969 1/20 0.59
TMEM97 Q5BJF2 1/20 0.59
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CHRM1 P11229 1/20 0.45
HTR2A P28223 1/20 0.45
MCHR1 Q99705 1/20 0.45

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
SCHEMBL22561783 0.79 HRH3 (0.74) HRH3HRH1SLC6A2CHRM2ADRA2C
SCHEMBL7982901 0.78 HRH3 (0.73) HRH3HRH1SLC6A2CHRM2ADRA2C
SCHEMBL27689434 0.77 HRH3 (0.71) HRH3HRH1SLC6A2CHRM2ADRA2C
Hydrochloric Acid SCHEMBL7369873 0.76 HRH3 (0.73) HRH3HRH1SLC6A2CHRM2ADRA2C
Pitolisant SCHEMBL117648 0.75 HRH3 (1.00) HRH3HRH1SLC6A2CHRM2ADRA2C
Pitolisant SCHEMBL4591893 0.74 HRH3 (1.00) HRH3HRH1SLC6A2CHRM2ADRA2C
SCHEMBL5487605 0.72 HRH3 (0.61) HRH3HRH1SLC6A2CHRM2ADRA2C
SCHEMBL25809972 0.72 SCN5A (0.68) HRH3HRH1SLC6A2CHRM2ADRA2C
Hydrochloric Acid SCHEMBL10503404 0.71 SIGMAR1 (0.66) HRH3HRH1SLC6A2CHRM2ADRA2C
SCHEMBL10911305 0.70 HRH3 (0.57) HRH3HRH1SLC6A2CHRM2ADRA2C

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
US-8106041-B2 Combination product comprising an antagonist or inverse agonist of histamine receptor H3 and an antipsychotic and antidepressant agent, and use thereof for the preparation of a medicament that prevents the adverse effects of psychotropic drugs BIOPROJET (FR) 2012-01-31 US claimed
JP-4800936-B2 2011-10-26 JP claimed
EP-1641461-B1 COMBINATION PRODUCT COMPRISING AN ANTAGONIST OR INVERSE AGONIST OF HISTAMINE RECEPTOR H<SB>3</SB> AND AN ANTIPSYCHOTIC OR ANTIDEPRESSANT AGENT, AND USE THEREOF FOR THE PREPARATION OF A MEDICAMENT THAT PREVENTS THE ADVERSE EFFECTS OF PSYCHOTROPIC DRUGS BIOPROJET SOC CIV (FR) 2010-09-29 EP claimed
US-20060210624-A1 Combination product comprising an antagonist or inverse agonist of histamine receptor h<sb>3 </sb>and an antipsychotic and antidepressant agent, and use thereof for the preparation of a medicament that prevents the adverse effects of psychotropic drugs BIOPROJET (FR) 2006-09-21 US claimed
EP-1641461-A1 COMBINATION PRODUCT COMPRISING AN ANTAGONIST OR INVERSE AGONIST OF HISTAMINE RECEPTOR H<SB>3</SB>AND AN ANTIPSYCHOTIC OR ANTIDEPRESSANT AGENT, AND USE THEREOF FOR THE PREPARATION OF A MEDICAMENT THAT PREVENTS THE ADVERSE EFFECTS OF PSYCHOTROPIC DRUGS BIOPROJET (FR) 2006-04-05 EP claimed
WO-2005000315-A1 COMBINATION PRODUCT COMPRISING AN ANTAGONIST OR INVERSE AGONIST OF HISTAMINE RECEPTOR H3 AND AN ANTIPSYCHOTIC OR ANTIDEPRESSANT AGENT, AND USE THEREOF FOR THE PREPARATION OF A MEDICAMENT THAT PREVENTS THE ADVERSE EFFECTS OF PSYCHOTROPIC DRUGS BIOPROJET (FR) 2005-01-06 WO claimed
US-8106041-B2 Combination product comprising an antagonist or inverse agonist of histamine receptor H3 and an antipsychotic and antidepressant agent, and use thereof for the preparation of a medicament that prevents the adverse effects of psychotropic drugs BIOPROJET (FR) 2012-01-31 US disclosed
EP-1641461-B1 COMBINATION PRODUCT COMPRISING AN ANTAGONIST OR INVERSE AGONIST OF HISTAMINE RECEPTOR H<SB>3</SB> AND AN ANTIPSYCHOTIC OR ANTIDEPRESSANT AGENT, AND USE THEREOF FOR THE PREPARATION OF A MEDICAMENT THAT PREVENTS THE ADVERSE EFFECTS OF PSYCHOTROPIC DRUGS BIOPROJET SOC CIV (FR) 2010-09-29 EP disclosed
US-20090312367-A1 COMBINATION OF MODAFINIL AND AN ANTAGONIST OR INVERSE AGONIST OF THE H3 RECEPTOR BIOPROJET (FR) 2009-12-17 US disclosed
EP-2043624-A2 COMBINATION OF MODAFINIL AND AN ANTAGONIST OR INVERSE AGONIST OF THE H3 RECEPTOR BIOPROJET (FR) 2009-04-08 EP disclosed
WO-2008009866-A2 COMBINATION OF MODAFINIL AND AN ANTAGONIST OR INVERSE AGONIST OF THE H3 RECEPTOR BIOPROJET (FR) 2008-01-24 WO disclosed
US-20060210624-A1 Combination product comprising an antagonist or inverse agonist of histamine receptor h<sb>3 </sb>and an antipsychotic and antidepressant agent, and use thereof for the preparation of a medicament that prevents the adverse effects of psychotropic drugs BIOPROJET (FR) 2006-09-21 US disclosed
EP-1641461-A1 COMBINATION PRODUCT COMPRISING AN ANTAGONIST OR INVERSE AGONIST OF HISTAMINE RECEPTOR H<SB>3</SB>AND AN ANTIPSYCHOTIC OR ANTIDEPRESSANT AGENT, AND USE THEREOF FOR THE PREPARATION OF A MEDICAMENT THAT PREVENTS THE ADVERSE EFFECTS OF PSYCHOTROPIC DRUGS BIOPROJET (FR) 2006-04-05 EP disclosed
WO-2005000315-A1 COMBINATION PRODUCT COMPRISING AN ANTAGONIST OR INVERSE AGONIST OF HISTAMINE RECEPTOR H3 AND AN ANTIPSYCHOTIC OR ANTIDEPRESSANT AGENT, AND USE THEREOF FOR THE PREPARATION OF A MEDICAMENT THAT PREVENTS THE ADVERSE EFFECTS OF PSYCHOTROPIC DRUGS BIOPROJET (FR) 2005-01-06 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-20060210624-A1 Combination product comprising an antagonist or inverse agonist of histamine receptor h<sb>3 </sb>and an antipsychotic and antidepressant agent, and use thereof for the preparation of a medicament that prevents the adverse effects of psychotropic drugs HRH3, HRH4, HRH2 HRH3 1/4885HRH1 4/4885SLC6A2 215/4885
US-20090312367-A1 COMBINATION OF MODAFINIL AND AN ANTAGONIST OR INVERSE AGONIST OF THE H3 RECEPTOR HRH3, HCRTR2, HCRTR1 HRH3 1/4885HRH1 5/4885SLC6A2 259/4885

“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.