SCHEMBL1507288

SCHEMBL1507288

O=C1NCCc2cc(OCC3CN(C(=O)N4CCCN(C5CCC5)CC4)C3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.46
CYP2D6 P10635 2/20 0.46
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ACHE P22303 1/20 0.40
KCNH2 Q12809 5/20 0.39
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38

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
SCHEMBL1507110 0.88 HRH3 (0.48) HRH3KCNH2
SCHEMBL1507151 0.84 AOC3 (0.44) HRH3CYP2D6ITGB3ITGA2BACHE
SCHEMBL1507203 0.77 HRH3 (0.55) HRH3KCNH2
SCHEMBL1507174 0.73 HRH3 (0.53) HRH3CYP2D6KCNH2
SCHEMBL1507172 0.72 HRH3 (0.53) HRH3KCNH2
SCHEMBL1507035 0.71 HRH3 (0.53) HRH3KCNH2
SCHEMBL3082684 0.70 HRH3 (0.66) HRH3CYP2D6
SCHEMBL1507026 0.69 HRH3 (0.44) HRH3KCNH2
SCHEMBL6009163 0.69 HRH3 (0.69) HRH3CYP2D6
SCHEMBL3077942 0.69 HRH3 (0.69) HRH3CYP2D6

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300422-B1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2014-11-05 EP claimed
US-20110105459-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-05-05 US claimed
EP-2300422-B1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2014-11-05 EP disclosed
EP-2300422-B1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2014-11-05 EP disclosed
US-8691804-B2 Azetidines and cyclobutanes as histamine H3 receptor antagonists EVOTEC AG (DE) 2014-04-08 US disclosed
US-8691804-B2 Azetidines and cyclobutanes as histamine H3 receptor antagonists EVOTEC AG (DE) 2014-04-08 US disclosed
US-20110105459-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-05-05 US disclosed
US-20110105459-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-05-05 US disclosed
US-20110105459-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-05-05 US disclosed
EP-2300422-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS Evotec AG (DE) 2011-03-30 EP disclosed
WO-2009135842-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-11-12 WO disclosed
WO-2009135842-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-11-12 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-20110105459-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS HRH4, HRH3, HRH1 HRH3 2/4885CYP2D6 596/4885ITGB3 2075/4885

“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.