SCHEMBL599098

SCHEMBL599098

Cc1nc(-c2ccc(C(=O)N3CC(C(=O)N4CCCN(C5CCC5)CC4)C3)cc2)no1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 7/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
GRM5 P41594 1/20 0.46
CLPP Q16740 1/20 0.46
HRH3 Q9Y5N1 5/20 0.45
HDAC4 P56524 1/20 0.44
RHOA P61586 1/20 0.44
MGLL Q99685 1/20 0.44
ACACB O00763 2/20 0.44
ACACA Q13085 2/20 0.44
HSD11B1 P28845 1/20 0.43
MBTD1 Q05BQ5 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
SCHEMBL1170059 0.90 L3MBTL3 (0.54) L3MBTL3L3MBTL1GRM5CLPPHRH3
SCHEMBL600062 0.87 L3MBTL3 (0.44) L3MBTL3L3MBTL1HRH3ACACBACACA
SCHEMBL600180 0.84 MAPK14 (0.52) L3MBTL3L3MBTL1HRH3MBTD1
SCHEMBL7071414 0.82 FASN (0.60) GRM5CLPPHDAC4MGLLACACB
SCHEMBL599177 0.82 KDM4E (0.59) L3MBTL3L3MBTL1HRH3MBTD1
SCHEMBL600329 0.81 NPC1 (0.61) L3MBTL3L3MBTL1HRH3RHOAMGLL
SCHEMBL599543 0.80 HRH3 (0.55) L3MBTL3L3MBTL1HRH3
SCHEMBL7893397 0.79 L3MBTL3 (0.55) L3MBTL3L3MBTL1HRH3MBTD1
SCHEMBL2928048 0.79 HRH3 (0.47) HRH3ACACBACACA
SCHEMBL2928047 0.79 HRH3 (0.47) HRH3ACACBACACA

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
US-8912176-B2 Azetidines as histamine H3 receptor antagonists EVOTEC AG (DE) 2014-12-16 US claimed
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
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 L3MBTL3 4400/4885L3MBTL1 4635/4885GRM5 367/4885

“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.