SCHEMBL2854545

SCHEMBL2854545

CCCCc1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2nc(CCC(=O)O)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 1.00
HRH1 P35367 12/20 1.00
KCNH2 Q12809 11/20 1.00
ADRA1A P35348 7/20 1.00
ADRA1B P35368 7/20 1.00

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
SCHEMBL2852768 0.94 HRH3 (1.00) HRH3HRH1KCNH2ADRA1AADRA1B
SCHEMBL2852639 0.89 HRH3 (1.00) HRH3HRH1KCNH2ADRA1AADRA1B
SCHEMBL2849054 0.86 HRH3 (0.85) HRH3HRH1KCNH2ADRA1AADRA1B
SCHEMBL2851067 0.86 HRH3 (1.00) HRH3HRH1KCNH2ADRA1AADRA1B
SCHEMBL3711533 0.85 HRH1 (0.74) HRH3HRH1KCNH2ADRA1AADRA1B
SCHEMBL2852566 0.84 HRH3 (0.72) HRH3HRH1KCNH2ADRA1AADRA1B
SCHEMBL2853380 0.84 HRH3 (0.86) HRH3HRH1KCNH2ADRA1AADRA1B
SCHEMBL2854990 0.79 HRH3 (0.81) HRH3HRH1KCNH2ADRA1AADRA1B
SCHEMBL2846839 0.79 HRH3 (0.83) HRH3HRH1KCNH2ADRA1AADRA1B
SCHEMBL3910503 0.79 HRH3 (1.00) HRH3HRH1KCNH2ADRA1AADRA1B

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
EP-2027108-B1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE GLAXO GROUP LTD (GB) 2010-01-13 EP disclosed
EP-2027108-B1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE GLAXO GROUP LTD (GB) 2010-01-13 EP disclosed
US-20090181950-A1 Histamine Receptor Antagonists Comprising an Azepin Core GLAXO GROUP LIMITED (GB) 2009-07-16 US disclosed
US-20090181950-A1 Histamine Receptor Antagonists Comprising an Azepin Core GLAXO GROUP LIMITED (GB) 2009-07-16 US disclosed
US-20090181950-A1 Histamine Receptor Antagonists Comprising an Azepin Core GLAXO GROUP LIMITED (GB) 2009-07-16 US disclosed
EP-2027108-A1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE Glaxo Group Limited (GB) 2009-02-25 EP disclosed
WO-2007135081-A1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE GLAXO GROUP LIMITED (GB) 2007-11-29 WO disclosed
WO-2007135081-A1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE GLAXO GROUP LIMITED (GB) 2007-11-29 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-20090181950-A1 Histamine Receptor Antagonists Comprising an Azepin Core HRH2, HRH1, HRH4 HRH3 4/4885HRH1 2/4885KCNH2 808/4885

“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.