SCHEMBL2820780

SCHEMBL2820780

CCOC(=O)CCc1ccc(OCCCN2CCCCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.69
KCNH2 Q12809 1/20 0.63
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
ACHE P22303 1/20 0.56
RAD52 P43351 1/20 0.56

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
SCHEMBL492219 0.85 HRH3 (0.75) HRH3POLBMAPTKDM4EACHE
SCHEMBL2822429 0.81 HRH3 (0.67) HRH3POLBMAPTKDM4EACHE
SCHEMBL491770 0.81 HRH3 (0.82) HRH3ACHERAD52
SCHEMBL4224568 0.80 HRH3 (0.93) HRH3KCNH2POLBMAPTKDM4E
SCHEMBL2824056 0.80 HRH3 (0.66) HRH3POLBMAPTKDM4EACHE
SCHEMBL492409 0.79 HRH3 (0.83) HRH3ACHERAD52
SCHEMBL5858552 0.79 HRH3 (0.80) HRH3ACHERAD52
SCHEMBL28538108 0.79 CYP4F2 (0.60)
SCHEMBL12061373 0.79 HRH3 (0.90) HRH3KCNH2ACHERAD52
SCHEMBL1744994 0.78 CYP4F2 (0.59) MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007735-B1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
EP-2007735-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS Glaxo Group Limited (GB) 2008-12-31 EP disclosed
US-20080039444-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-02-14 US disclosed
WO-2007122156-A9 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-24 WO disclosed
WO-2007122156-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-11-01 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 (2 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-20080039444-A1 COMPOUNDS CMA1, MRGPRX2, HRH2 HRH3 16/4885KCNH2 1588/4885POLB 3167/4885
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists HRH2, HRH3, HRH4 HRH3 2/4885KCNH2 112/4885POLB 4080/4885

“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.