SCHEMBL4095501

SCHEMBL4095501

C(=Cc1ccc(-c2ccc(OCCCC3CCNCC3)cc2)cc1)CN1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 13/20 0.67
▸ S1PR1 P21453 1/20 0.45
▸ NPY1R P25929 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HRH1 P35367 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ IKBKE Q14164 1/20 0.41
▸ TBK1 Q9UHD2 1/20 0.41
▸ HRH2 P25021 1/20 0.41

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
SCHEMBL4095496 1.00 HRH3 (0.67) HRH3S1PR1NPY1RHPGDHRH1
SCHEMBL4083892 0.81 HRH3 (1.00) HRH3HRH1KCNH2HRH2
SCHEMBL4083895 0.81 HRH3 (1.00) HRH3HRH1KCNH2HRH2
SCHEMBL4100285 0.81 HRH3 (1.00) HRH3HRH1KCNH2HRH2
SCHEMBL4088664 0.78 HRH3 (0.70) HRH3HRH1KCNH2
SCHEMBL27342752 0.69 HRH3 (0.62) HRH3S1PR1LTA4H
SCHEMBL9527849 0.69 HRH3 (0.62) HRH3S1PR1LTA4H
SCHEMBL12205168 0.68 ITGB3 (0.54) HRH3
SCHEMBL14395681 0.68 NFE2L2 (0.59) HRH3
SCHEMBL12735820 0.68 ITGB3 (0.57) HRH1KCNH2

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 1/4885S1PR1 302/4885NPY1R 84/4885

“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.

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