SCHEMBL491876

SCHEMBL491876

c1ccc2c(OCCCCCN3CCCC3)cccc2c1

nearest known ligand 0.97

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.97
HTR2A P28223 2/20 0.97
HTR7 P34969 2/20 0.97
HTR6 P50406 2/20 0.97
TDP1 Q9NUW8 1/20 0.97
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
DRD3 P35462 1/20 0.65
ALDH1A1 P00352 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP2D6 P10635 2/20 0.65
CYP2C19 P33261 2/20 0.65
KDM4E B2RXH2 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.62

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
SCHEMBL8780201 1.00 HRH3 (0.97) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL5856195 0.99 HRH3 (0.94) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL8780187 0.98 TDP1 (1.00) HRH3HTR2AHTR7HTR6TDP1
Hydrochloric Acid SCHEMBL8780151 0.97 HRH3 (0.97) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL14970546 0.93 HRH3 (0.89) HRH3HTR2AHTR7HTR6TDP1
Oxalic Acid SCHEMBL8780098 0.91 TDP1 (0.85) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL5277527 0.90 HRH3 (0.79) HRH3HTR2AHTR7HTR6TDP1
Oxalic Acid SCHEMBL8780050 0.90 HRH3 (0.83) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL7391518 0.89 HRH3 (0.78) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL14970486 0.88 HRH3 (0.81) HRH3HTR2AHTR7HTR6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281844-A1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SCHWARTZ JEAN-CHARLES (FR) 2011-11-17 US claimed
EP-2000462-A2 Non-imidazole alkylamines as histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2008-12-10 EP claimed
EP-1863487-A2 TREATMENT OF PARKINSON'S DISEASE, OBSTRUCTIVE SLEEP APNEA, DEMENTIA WITH LEWY BODIES, VASCULAR DEMENTIA WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-12 EP claimed
EP-1863486-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-12 EP claimed
WO-2006103546-A2 TREATMENT OF PARKINSON'S DISEASE, OBSTRUCTIVE SLEEP APNEA, DEMENTIA WITH LEWY BODIES, VASCULAR DEMENTIA WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2006-10-05 WO claimed
WO-2006103537-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2006-10-05 WO claimed
EP-1707203-A1 Treatment of parkinson's disease obstructive sleep apnea, dementia with lewy bodies, vascular dementia with non-imidazole alkylamines histamine H3- receptor ligands BIOPROJET (FR) 2006-10-04 EP claimed
EP-1707204-A1 Treatment of epilepsy with non-imidazole alkylamines histamine H3-receptor ligands BIOPROJET (FR) 2006-10-04 EP claimed
EP-1100503-B1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H 3?-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ILE BIOPROJET SOC CIV (FR) 2004-09-22 EP claimed
EP-0982300-A2 Non-imidazole alkylamines as histamine H3 - receptor ligands and their therapeutic applications SOCIETE CIVILE BIOPROJET (FR) 2000-03-01 EP claimed
EP-0978512-A1 Non-imidazole aryloxy (or arylthio) alkylamines as histamine H3-receptor antagonists and their therapeutic applications SOCIETE CIVILE BIOPROJET (FR) 2000-02-09 EP claimed
US-8486947-B2 Treatment of Parkinson's disease, obstructive sleep apnea, dementia with Lewy bodies, vascular dementia with non-imidazole alkylamines histamine H3-receptor ligands BIOPROJET (FR) 2013-07-16 US disclosed
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
US-20110281844-A1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SCHWARTZ JEAN-CHARLES (FR) 2011-11-17 US disclosed
US-20110281844-A1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SCHWARTZ JEAN-CHARLES (FR) 2011-11-17 US disclosed
US-20040220225-A1 central nervous system disorders; Alzheimer's disease; attention deficit disorders; cognition activators; psychological disorders; antidepressants SCHWARTZ JEAN-CHARLES (FR) 2004-11-04 US disclosed
EP-1100503-B1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H 3?-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ILE BIOPROJET SOC CIV (FR) 2004-09-22 EP disclosed
EP-1428820-A1 Non-imidazole alkylamines as histamine H-3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2004-06-16 EP disclosed
EP-0982300-A2 Non-imidazole alkylamines as histamine H3 - receptor ligands and their therapeutic applications SOCIETE CIVILE BIOPROJET (FR) 2000-03-01 EP disclosed
EP-0978512-A1 Non-imidazole aryloxy (or arylthio) alkylamines as histamine H3-receptor antagonists and their therapeutic applications SOCIETE CIVILE BIOPROJET (FR) 2000-02-09 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 (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-20040220225-A1 central nervous system disorders; Alzheimer's disease; attention deficit disorders; cognition activators; psychological disorders; antidepressants HTR1A, HRH4, HTR1D HRH3 6/4885HTR2A 11/4885HTR7 10/4885
US-20110281844-A1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS HRH3, HRH4, HRH2 HRH3 1/4885HTR2A 123/4885HTR7 54/4885

“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.