SCHEMBL4089073

SCHEMBL4089073

O[C@H]1CC[C@H](c2ccc(OCCCCl)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.63
KCNH2 Q12809 4/20 0.63
CYP3A4 P08684 3/20 0.63
CYP2C9 P11712 3/20 0.63
ESR2 Q92731 2/20 0.50
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
HTR2A P28223 1/20 0.47
DRD3 P35462 1/20 0.47
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.46
KMT2A Q03164 1/20 0.46
S1PR1 P21453 1/20 0.42

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
SCHEMBL4089076 1.00 HRH3 (0.63) HRH3KCNH2CYP3A4CYP2C9ESR2
SCHEMBL11831277 0.87 HRH3 (0.63) HRH3KCNH2CYP3A4CYP2C9ESR2
SCHEMBL6985917 0.86 HRH3 (0.50) HRH3KCNH2CYP3A4CYP2C9HTR1A
SCHEMBL1509691 0.84 HRH3 (0.60) HRH3KCNH2CYP3A4CYP2C9ESR2
SCHEMBL1509692 0.84 HRH3 (0.60) HRH3KCNH2CYP3A4CYP2C9ESR2
SCHEMBL11829037 0.83 HRH3 (0.59) HRH3KCNH2CYP3A4CYP2C9ESR2
SCHEMBL5089804 0.83 HRH3 (0.59) HRH3KCNH2CYP3A4CYP2C9ESR2
SCHEMBL10453972 0.83 HRH3 (0.59) HRH3KCNH2CYP3A4CYP2C9RAB9A
SCHEMBL10654074 0.83 HRH3 (0.59) HRH3KCNH2CYP3A4CYP2C9RAB9A
SCHEMBL14535130 0.81 HRH3 (0.56) HRH3KCNH2CYP3A4CYP2C9ESR2

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 10 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
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-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-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

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 1031/4885CYP3A4 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.