SCHEMBL600504

SCHEMBL600504

O=C(c1ccn2ccnc2c1)N1CC(C(=O)N2CCCN(C3CCC3)CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.51
KDM4E B2RXH2 1/20 0.43
KCNH2 Q12809 3/20 0.43
HSD11B1 P28845 2/20 0.42
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL601372 0.82 PROKR1 (0.52) HRH3KDM4EKCNH2
SCHEMBL17350547 0.78 HSD11B1 (0.51) HRH3KDM4EHSD11B1
SCHEMBL599542 0.77 HRH3 (0.50) HRH3KDM4EKCNH2L3MBTL3L3MBTL1
SCHEMBL599177 0.76 KDM4E (0.59) HRH3KDM4EL3MBTL3L3MBTL1
SCHEMBL599543 0.76 HRH3 (0.55) HRH3KCNH2L3MBTL3L3MBTL1
SCHEMBL7893397 0.76 L3MBTL3 (0.55) HRH3KDM4EL3MBTL3L3MBTL1
SCHEMBL3709924 0.76 HRH3 (0.57) HRH3KCNH2L3MBTL3L3MBTL1
SCHEMBL17350856 0.76 HPGD (0.52) KDM4EHSD11B1
SCHEMBL599318 0.75 HPGD (0.47) HRH3KCNH2HSD11B1
SCHEMBL599001 0.74 HRH3 (0.52) HRH3KDM4EKCNH2L3MBTL3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040952-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2012-02-16 US claimed
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-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
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 HRH3 1/4885KDM4E 697/4885KCNH2 329/4885

“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.