SCHEMBL4094104

SCHEMBL4094104

OC1(c2ccc(OCCCN3CCCCC3)cc2)CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 1.00
PSMB1 P20618 1/20 0.63
PSMB5 P28074 1/20 0.63
PSMB2 P49721 1/20 0.63
HTR1A P08908 1/20 0.62
DRD2 P14416 1/20 0.62
DRD1 P21728 1/20 0.62
DRD5 P21918 1/20 0.62
SLC6A2 P23975 1/20 0.62
HTR2A P28223 1/20 0.62
SLC6A4 P31645 1/20 0.62
HTR7 P34969 1/20 0.62
HRH1 P35367 1/20 0.62
DRD3 P35462 1/20 0.62
HTR2B P41595 1/20 0.62
KCNH2 Q12809 1/20 0.58
ACHE P22303 1/20 0.58
RAD52 P43351 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL3583555 0.86 HRH3 (0.75) HRH3HTR1ADRD2DRD1DRD5
SCHEMBL3580238 0.84 HRH3 (0.72) HRH3HTR1ADRD2DRD1DRD5
SCHEMBL3575961 0.83 HTR1A (0.72) HRH3HTR1ADRD2DRD1DRD5
SCHEMBL13309956 0.83 HRH3 (0.71) HRH3PSMB1PSMB5PSMB2HRH1
SCHEMBL3581930 0.83 HRH3 (0.89) HRH3HRH1KCNH2ACHERAD52
SCHEMBL738421 0.82 HRH3 (0.70) HRH3HTR1ADRD2HTR2AHRH1
SCHEMBL3583264 0.81 HRH3 (0.68) HRH3ACHERAD52MEN1ALDH1A1
SCHEMBL3271308 0.81 HRH3 (0.68) HRH3PSMB1PSMB5PSMB2HRH1
SCHEMBL5097420 0.81 HRH3 (0.68) HRH3PSMB1PSMB5PSMB2HRH1
SCHEMBL3270808 0.81 HRH3 (0.67) HRH3PSMB1PSMB5PSMB2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US claimed
EP-1874746-A2 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2008-01-09 EP claimed
WO-2006117609-A2 PHENOXYPROPYLPIPERIDINES AND -PYRROLIDINES AND THEIR USE AS HISTAMINE H3 -RECEPTOR LIGANDS BIOPROJET (FR) 2006-11-09 WO claimed
EP-1717234-A1 Phenoxypropylpiperidines and -pyrrolidines and their use as histamine H3-receptor ligands BIOPROJET (FR) 2006-11-02 EP claimed
EP-1717235-A2 Phenoxypropylpiperidines and -pyrrolidines and their use as histamine H3-receptor ligands BIOPROJET (FR) 2006-11-02 EP claimed
EP-1874746-B1 DERIVATIVES OF 1-N-AZACYCLOALKYL-3-PHENOXYPROPANE USEFUL FOR THE PREPARATION OF PSYCHOTROPIC MEDICAMENTS BIOPROJET SOC CIV (FR) 2015-11-18 EP disclosed
EP-1874746-B1 DERIVATIVES OF 1-N-AZACYCLOALKYL-3-PHENOXYPROPANE USEFUL FOR THE PREPARATION OF PSYCHOTROPIC MEDICAMENTS BIOPROJET SOC CIV (FR) 2015-11-18 EP disclosed
US-8076329-B2 Histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2011-12-13 US disclosed
US-8076329-B2 Histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2011-12-13 US disclosed
US-8076329-B2 Histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2011-12-13 US disclosed
US-20090312367-A1 COMBINATION OF MODAFINIL AND AN ANTAGONIST OR INVERSE AGONIST OF THE H3 RECEPTOR BIOPROJET (FR) 2009-12-17 US disclosed
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US disclosed
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US disclosed
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 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
EP-1874746-A2 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2008-01-09 EP disclosed
WO-2006117609-A2 PHENOXYPROPYLPIPERIDINES AND -PYRROLIDINES AND THEIR USE AS HISTAMINE H3 -RECEPTOR LIGANDS BIOPROJET (FR) 2006-11-09 WO disclosed
EP-1717234-A1 Phenoxypropylpiperidines and -pyrrolidines and their use as histamine H3-receptor ligands BIOPROJET (FR) 2006-11-02 EP disclosed
EP-1717235-A2 Phenoxypropylpiperidines and -pyrrolidines and their use as histamine H3-receptor ligands BIOPROJET (FR) 2006-11-02 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-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS HRH3, HRH4, HRH1 HRH3 1/4885PSMB1 2726/4885PSMB5 2374/4885
US-20090312367-A1 COMBINATION OF MODAFINIL AND AN ANTAGONIST OR INVERSE AGONIST OF THE H3 RECEPTOR HRH3, HCRTR2, HCRTR1 HRH3 1/4885PSMB1 1851/4885PSMB5 1336/4885

“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.