SCHEMBL1507108

SCHEMBL1507108

CN(C(=O)C1CN(C(=O)N2CCCN(C3CCC3)CC2)C1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.46
PDK2 Q15119 3/20 0.45
SCN5A Q14524 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
KCNH2 Q12809 4/20 0.43
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
AKR1C3 P42330 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL1507102 0.84 ALDH1A1 (0.40) HRH3KCNH2HTTALDH1A1
SCHEMBL1507100 0.79 MCHR1 (0.48) HRH3PDK2KCNH2
SCHEMBL1507070 0.78 LMNA (0.56) HRH3KCNH2LMNAHTTALDH1A1
SCHEMBL1507131 0.76 HRH3 (0.64) HRH3KCNH2
SCHEMBL1507009 0.74 GAA (0.52) HRH3KCNH2
SCHEMBL6424264 0.73 PDK2 (0.56) PDK2ALDH1A1HPGDSMN1; SMN2
SCHEMBL1507061 0.73 HRH3 (0.48) HRH3SCN5ASCN2ASCN10AKCNH2
SCHEMBL1507203 0.73 HRH3 (0.55) HRH3KCNH2
SCHEMBL1507111 0.73 HRH3 (0.41) HRH3KCNH2LMNAALDH1A1
SCHEMBL7887462 0.72 HRH3 (0.46) HRH3KCNH2

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 14 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-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS Evotec AG (DE) 2011-03-30 EP claimed
WO-2009135842-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-11-12 WO 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 2/4885PDK2 3602/4885SCN5A 749/4885

“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.