SCHEMBL600532

SCHEMBL600532

O=C(c1ccc(-n2cccn2)nc1)N1CC(C(=O)N2CCCN(C3CCC3)CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
HRH3 Q9Y5N1 15/20 0.51
CXCR4 P61073 1/20 0.50
KCNH2 Q12809 4/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.43

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
SCHEMBL599001 0.88 HRH3 (0.52) KDM4EHRH3KCNH2
SCHEMBL600852 0.86 HRH3 (0.49) HRH3KCNH2
SCHEMBL601365 0.83 HRH3 (0.48) KDM4EHRH3KCNH2
SCHEMBL599543 0.80 HRH3 (0.55) HRH3KCNH2LMNAKMT2A
SCHEMBL3709924 0.79 HRH3 (0.57) HRH3KCNH2
SCHEMBL599182 0.78 ALDH1A1 (0.53) HRH3KCNH2LMNAKMT2A
SCHEMBL600233 0.78 ALDH1A1 (0.53) HRH3KCNH2LMNAKMT2A
SCHEMBL599122 0.77 HRH3 (0.52) HRH3KCNH2
SCHEMBL599676 0.77 ALDH1A1 (0.53) KDM4EHRH3KCNH2LMNAKMT2A
SCHEMBL599542 0.77 HRH3 (0.50) KDM4EHRH3KCNH2

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-2391617-B1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2015-11-11 EP disclosed
EP-2391617-B1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2015-11-11 EP disclosed
US-8912176-B2 Azetidines as histamine H3 receptor antagonists EVOTEC AG (DE) 2014-12-16 US disclosed
US-8912176-B2 Azetidines as histamine H3 receptor antagonists EVOTEC AG (DE) 2014-12-16 US disclosed
US-8912176-B2 Azetidines as histamine H3 receptor antagonists EVOTEC AG (DE) 2014-12-16 US disclosed
US-20120040952-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2012-02-16 US disclosed
US-20120040952-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2012-02-16 US disclosed
US-20120040952-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2012-02-16 US disclosed
EP-2391617-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS Evotec AG (DE) 2011-12-07 EP disclosed
WO-2010086403-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-08-05 WO disclosed
WO-2010086403-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-08-05 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-20120040952-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS HRH3, HRH2, HRH1 KDM4E 697/4885HRH3 1/4885CXCR4 210/4885

“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.