SCHEMBL4098361

SCHEMBL4098361

c1cc(C2CCC(N3CCCC3)CC2)ccc1OCCCN1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 1.00
CYP2C9 P11712 6/20 1.00
CYP3A4 P08684 4/20 1.00
KCNH2 Q12809 4/20 0.78

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
SCHEMBL12050664 1.00 HRH3 (1.00) HRH3CYP2C9CYP3A4KCNH2
SCHEMBL4088144 0.92 HRH3 (1.00) HRH3CYP2C9CYP3A4KCNH2
SCHEMBL4089448 0.92 HRH3 (1.00) HRH3CYP2C9CYP3A4KCNH2
SCHEMBL4088149 0.92 HRH3 (1.00) HRH3CYP2C9CYP3A4KCNH2
Hydrochloric Acid SCHEMBL9987327 0.91 HRH3 (0.98) HRH3CYP2C9CYP3A4KCNH2
Hydrochloric Acid SCHEMBL9986450 0.91 HRH3 (0.98) HRH3CYP2C9CYP3A4KCNH2
Hydrochloric Acid SCHEMBL9986449 0.91 HRH3 (0.98) HRH3CYP2C9CYP3A4KCNH2
SCHEMBL4088874 0.85 HRH3 (1.00) HRH3CYP2C9CYP3A4KCNH2
SCHEMBL4088872 0.85 HRH3 (1.00) HRH3CYP2C9CYP3A4KCNH2
SCHEMBL4089251 0.84 HRH3 (0.97) HRH3CYP2C9CYP3A4KCNH2

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 7 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-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 (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 1/4885CYP2C9 1879/4885CYP3A4 2341/4885

“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.