SCHEMBL4089542

SCHEMBL4089542

O=C(c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1)N1CCCCC1

nearest known ligand 0.97

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.97
ALDH1A1 P00352 2/20 0.69
HPGD P15428 2/20 0.69
KCNH2 Q12809 2/20 0.69
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
DRD2 P14416 1/20 0.67

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
Hydrochloric Acid SCHEMBL5935356 0.95 HRH3 (0.87) HRH3ALDH1A1HPGDKCNH2MEN1
Hydrochloric Acid SCHEMBL5935367 0.90 HRH3 (0.79) HRH3ALDH1A1HPGDKCNH2MEN1
SCHEMBL4670397 0.88 HRH3 (0.75) HRH3ALDH1A1HPGDKCNH2MEN1
SCHEMBL12050724 0.86 HRH3 (0.75) HRH3ALDH1A1KCNH2
Hydrochloric Acid SCHEMBL5935407 0.86 HRH3 (0.73) HRH3ALDH1A1HPGDKCNH2MEN1
SCHEMBL7599273 0.86 HRH3 (0.90) HRH3
Hydrochloric Acid SCHEMBL5935368 0.86 HRH3 (0.72) HRH3ALDH1A1HPGDKCNH2MEN1
SCHEMBL4670302 0.86 HRH3 (0.72) HRH3ALDH1A1HPGDKCNH2DRD2
SCHEMBL4225264 0.85 HRH3 (0.72) HRH3ALDH1A1HPGDKCNH2SMN1; SMN2
SCHEMBL5216263 0.85 HRH3 (0.76) HRH3ALDH1A1HPGDMEN1KMT2A

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 11 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
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 1/4885ALDH1A1 1986/4885HPGD 654/4885

“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.