SCHEMBL600207

SCHEMBL600207

O=C(Oc1ccc([N+](=O)[O-])cc1)N1CC(C(=O)N2CCCN(C3CCC3)CC2)C1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.68
CYP2D6 P10635 1/20 0.68
CHRNA7 P36544 1/20 0.50
FAAH O00519 1/20 0.48
KMT2A Q03164 1/20 0.48
HRH3 Q9Y5N1 8/20 0.46
MGLL Q99685 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL1507165 0.90 CYP1A2 (0.78) CYP1A2CYP2D6CHRNA7FAAHMGLL
SCHEMBL599656 0.85 HRH3 (0.59) CHRNA7HRH3KCNH2
SCHEMBL7887253 0.85 CHRNA7 (0.54) CHRNA7HRH3KCNH2
SCHEMBL600085 0.82 HRH3 (0.61) CHRNA7HRH3MGLLKCNH2
SCHEMBL29082769 0.82 CYP1A2 (0.80) CYP1A2CYP2D6CHRNA7FAAHKMT2A
SCHEMBL4018355 0.81 CYP1A2 (1.00) CYP1A2CYP2D6FAAHMGLL
SCHEMBL600148 0.80 HRH3 (0.48) CHRNA7HRH3KCNH2
SCHEMBL26042174 0.77 CYP1A2 (0.69) CYP1A2CYP2D6FAAHKMT2AMGLL
SCHEMBL640619 0.76 CYP1A2 (0.76) CYP1A2CYP2D6FAAHKMT2AMGLL
SCHEMBL25299281 0.74 CYP1A2 (0.67) CYP1A2CYP2D6FAAHMGLL

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 18 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
CN-102369196-A Azetidines as histamine h3 receptor antagonists EVOTEC NEUROSCIENCES GMBH 2012-03-07 CN 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-8912176-B2 Azetidines as histamine H3 receptor antagonists EVOTEC AG (DE) 2014-12-16 US disclosed
CN-102369196-A Azetidines as histamine h3 receptor antagonists EVOTEC NEUROSCIENCES GMBH 2012-03-07 CN 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 CYP1A2 768/4885CYP2D6 601/4885CHRNA7 175/4885

“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.