SCHEMBL1507017

SCHEMBL1507017

O=C(NC1CN(C(=O)N2CCCN(C3CCC3)CC2)C1)C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HRH3 Q9Y5N1 5/20 0.48
CYP2D6 P10635 1/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 1/20 0.42
F2R P25116 2/20 0.41
ALDH1A1 P00352 3/20 0.40
SIGMAR1 Q99720 4/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM3 P20309 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL1507048 0.91 POLB (0.57) POLBHSD17B10HRH3CYP2D6MEN1
SCHEMBL1507104 0.80 HRH3 (0.45) POLBHSD17B10HRH3KCNH2ALDH1A1
SCHEMBL1507265 0.79 HRH3 (0.53) HRH3KCNH2ALDH1A1
SCHEMBL16207888 0.79 HRH3 (0.48) POLBHSD17B10HRH3KCNH2ALDH1A1
SCHEMBL3857679 0.79 ALDH1A1 (0.61) POLBHSD17B10HRH3KCNH2ALDH1A1
SCHEMBL599173 0.78 HRH3 (0.52) HRH3KCNH2ALDH1A1
SCHEMBL1507268 0.78 HRH3 (0.52) HRH3KCNH2ALDH1A1
SCHEMBL1507140 0.78 HRH3 (0.52) HRH3KCNH2ALDH1A1
SCHEMBL1507226 0.78 HRH3 (0.52) HRH3KCNH2ALDH1A1
SCHEMBL1507137 0.77 HRH3 (0.45) POLBHSD17B10HRH3KMT2AKCNH2

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 16 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
CN-102015636-A Azetidines and cyclobutanes as histamine H3 receptor antagonists EVOTEC NEUROSCIENCES GMBH 2011-04-13 CN claimed
EP-2300422-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS Evotec AG (DE) 2011-03-30 EP 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
CN-102015636-B Azetidines and cyclobutanes as histamine H3 receptor antagonists EVOTEC NEUROSCIENCES GMBH 2014-08-13 CN 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
CN-102015636-A Azetidines and cyclobutanes as histamine H3 receptor antagonists EVOTEC NEUROSCIENCES GMBH 2011-04-13 CN 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 POLB 3076/4885HSD17B10 3986/4885HRH3 2/4885

“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.