SCHEMBL4094728

SCHEMBL4094728

C[C@H]1CCCN(CCCOc2ccc(Br)cc2)C1

nearest known ligand 0.87

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.87
HRH3 Q9Y5N1 16/20 0.73
MAOB P27338 2/20 0.68
HRH2 P25021 1/20 0.68
HRH1 P35367 1/20 0.68
RECQL P46063 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
ALDH1A1 P00352 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63

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
SCHEMBL4473444 0.86 HRH3 (0.73) KDM4EHRH3MAOBHRH2HRH1
SCHEMBL21814280 0.86 HRH3 (0.73) KDM4EHRH3MAOBHRH2HRH1
SCHEMBL14591695 0.86 HRH3 (0.85) KDM4EHRH3MAOBHRH2HRH1
SCHEMBL15925684 0.84 HRH3 (0.70) KDM4EHRH3MAOBHRH2HRH1
SCHEMBL12061360 0.84 HRH3 (0.81) KDM4EHRH3MAOBHRH2HRH1
SCHEMBL12062205 0.84 HRH3 (1.00) KDM4EHRH3MAOBHRH2HRH1
SCHEMBL4095149 0.84 HRH3 (1.00) KDM4EHRH3MAOBHRH2HRH1
SCHEMBL491736 0.84 HRH3 (0.93) KDM4EHRH3MAOBHRH2HRH1
SCHEMBL4095152 0.84 HRH3 (1.00) KDM4EHRH3MAOBHRH2HRH1
SCHEMBL12128540 0.83 HRH3 (0.68) KDM4EHRH3MAOBHRH2HRH1

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-1717235-A2 Phenoxypropylpiperidines and -pyrrolidines and their use as histamine H3-receptor ligands BIOPROJET (FR) 2006-11-02 EP disclosed
EP-1717234-A1 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 KDM4E 1385/4885HRH3 1/4885MAOB 342/4885

“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.