SCHEMBL4096430

SCHEMBL4096430

CCOC(=O)c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 1.00
KCNH2 Q12809 3/20 1.00
KDM4E B2RXH2 1/20 0.62
HRH1 P35367 6/20 0.61
HRH2 P25021 5/20 0.61
CYP2D6 P10635 2/20 0.60
MAOB P27338 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
CHRM2 P08172 1/20 0.59
CHRM4 P08173 1/20 0.59
CHRM5 P08912 1/20 0.59
THRB P10828 1/20 0.59
CYP2C9 P11712 1/20 0.59
ADRA2C P18825 1/20 0.59
DRD4 P21917 1/20 0.59
ACHE P22303 1/20 0.59
SLC6A2 P23975 1/20 0.59
HTR2A P28223 1/20 0.59

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
SCHEMBL4224568 0.96 HRH3 (0.93) HRH3KCNH2KDM4EHRH1HRH2
SCHEMBL223800 0.90 KCNH2 (0.81) HRH3KCNH2KDM4EHRH1HRH2
SCHEMBL228881 0.90 KCNH2 (0.81) HRH3KCNH2KDM4EHRH1HRH2
Hydrochloric Acid SCHEMBL8404070 0.89 KCNH2 (0.80) HRH3KCNH2KDM4EHRH1HRH2
SCHEMBL21408538 0.89 HRH3 (0.79) HRH3KCNH2KDM4EHRH1HRH2
SCHEMBL5214308 0.84 HRH3 (0.72) HRH3KCNH2KDM4EHRH1HRH2
SCHEMBL9200735 0.84 HRH3 (0.72) HRH3KCNH2HRH1HRH2ALDH1A1
SCHEMBL17758913 0.84 HRH3 (0.72) HRH3KCNH2KDM4EHRH1HRH2
SCHEMBL491928 0.83 KDM4E (0.81) HRH3KCNH2KDM4EHRH1HRH2
SCHEMBL12050724 0.83 HRH3 (0.75) HRH3KCNH2KDM4EHRH1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US 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-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 (1 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 1/4885KCNH2 1031/4885KDM4E 1385/4885

“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.