SCHEMBL600472

SCHEMBL600472

O=C(c1ccc(-c2nccs2)cc1)N1CC(C(=O)N2CCCN(C3CCC3)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.53
BCR P11274 3/20 0.53
L3MBTL3 Q96JM7 8/20 0.46
HRH3 Q9Y5N1 7/20 0.46
L3MBTL1 Q9Y468 6/20 0.46
KDM4E B2RXH2 1/20 0.45
KCNH2 Q12809 1/20 0.44
MBTD1 Q05BQ5 3/20 0.43
RHOA P61586 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
SCHEMBL599177 0.84 KDM4E (0.59) L3MBTL3HRH3L3MBTL1KDM4EMBTD1
SCHEMBL600534 0.80 MKNK1 (0.51) ABL1BCRL3MBTL3HRH3L3MBTL1
SCHEMBL600329 0.79 NPC1 (0.61) L3MBTL3HRH3L3MBTL1RHOA
SCHEMBL7893397 0.79 L3MBTL3 (0.55) L3MBTL3HRH3L3MBTL1KDM4EMBTD1
SCHEMBL599543 0.78 HRH3 (0.55) L3MBTL3HRH3L3MBTL1KCNH2
SCHEMBL599098 0.77 L3MBTL3 (0.46) L3MBTL3HRH3L3MBTL1MBTD1RHOA
SCHEMBL601372 0.77 PROKR1 (0.52) HRH3KDM4EKCNH2
SCHEMBL3709924 0.77 HRH3 (0.57) L3MBTL3HRH3L3MBTL1KCNH2
SCHEMBL599523 0.77 ALDH1A1 (0.59) L3MBTL3HRH3L3MBTL1KDM4EMBTD1
SCHEMBL599473 0.77 HRH3 (0.59) L3MBTL3HRH3L3MBTL1KCNH2

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-2391617-B1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2015-11-11 EP claimed
EP-2391617-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS Evotec AG (DE) 2011-12-07 EP claimed
WO-2010086403-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-08-05 WO claimed
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 ABL1 608/4885BCR 1978/4885L3MBTL3 4400/4885

“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.