SCHEMBL600888

SCHEMBL600888

O=C(NCc1ccc(F)cc1)N1CC(C(=O)N2CCCN(C3CCC3)CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.56
KCNH2 Q12809 4/20 0.50
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.47

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
SCHEMBL7887420 0.90 HRH3 (0.56) HRH3ALDH1A1
SCHEMBL600463 0.87 HRH3 (0.53) HRH3KCNH2
SCHEMBL598828 0.80 HRH3 (0.55) HRH3KCNH2
SCHEMBL599933 0.77 HRH3 (0.45) HRH3KCNH2ALDH1A1TSHRPOLB
SCHEMBL4559263 0.76 TP53 (0.63) ALDH1A1TSHR
SCHEMBL3325997 0.76 HRH3 (0.49) HRH3KCNH2POLB
SCHEMBL599116 0.73 HRH3 (0.55) HRH3KCNH2POLB
SCHEMBL7897208 0.73 CNR2 (0.51) HRH3
SCHEMBL599550 0.73 ALDH1A1 (0.53) HRH3KCNH2ALDH1A1POLB
SCHEMBL4314917 0.73 HRH3 (0.64) HRH3KCNH2

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-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-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 HRH3 1/4885KCNH2 329/4885ALDH1A1 1670/4885

“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.