SCHEMBL2820649

SCHEMBL2820649

O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCCc2ccc(OCCCN3CCCCCC3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 17/20 1.00
HRH1 P35367 17/20 1.00
HRH3 Q9Y5N1 17/20 1.00
ADRA1B P35368 16/20 1.00
KCNH2 Q12809 4/20 0.69
CYP2D6 P10635 2/20 0.69
CYP3A4 P08684 2/20 0.69
HRH2 P25021 1/20 0.69
HRH4 Q9H3N8 1/20 0.69
ADRA2A P08913 2/20 0.63
CHRM1 P11229 2/20 0.63
ADRA2B P18089 2/20 0.63
HTR2A P28223 2/20 0.63
DRD3 P35462 2/20 0.63
ABCB1 P08183 2/20 0.63
CHRM2 P08172 1/20 0.63
ADRB1 P08588 1/20 0.63
GABRA1 P14867 1/20 0.63
ADRA2C P18825 1/20 0.63
SLC6A2 P23975 1/20 0.63

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
SCHEMBL13089729 0.98 ADRA1A (1.00) ADRA1AHRH1HRH3ADRA1BKCNH2
SCHEMBL2822398 0.97 ADRA1A (1.00) ADRA1AHRH1HRH3ADRA1BKCNH2
SCHEMBL2819982 0.94 HRH3 (1.00) ADRA1AHRH1HRH3ADRA1BKCNH2
SCHEMBL14303458 0.88 ADRA1A (0.78) ADRA1AHRH1HRH3ADRA1BKCNH2
SCHEMBL2821905 0.87 ADRA1A (0.86) ADRA1AHRH1HRH3ADRA1BKCNH2
SCHEMBL2821401 0.85 ADRA1A (0.75) ADRA1AHRH1HRH3ADRA1BKCNH2
SCHEMBL10372558 0.85 ADRA1A (0.79) ADRA1AHRH1HRH3ADRA1BKCNH2
SCHEMBL2821949 0.85 ADRA1A (0.77) ADRA1AHRH1HRH3ADRA1BKCNH2
SCHEMBL14294502 0.84 ADRA1A (0.76) ADRA1AHRH1HRH3ADRA1BKCNH2
Hydrochloric Acid SCHEMBL2820254 0.83 ADRA1A (0.73) ADRA1AHRH1HRH3ADRA1BKCNH2

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 12 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 claimed
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists GLAXO GROUP LIMITED (GB) 2009-04-23 US claimed
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
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists GLAXO GROUP LIMITED (GB) 2009-04-23 US 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
US-20080039444-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-02-14 US 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 ADRA1A 362/4885HRH1 4/4885HRH3 16/4885
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists HRH2, HRH3, HRH4 ADRA1A 150/4885HRH1 4/4885HRH3 2/4885

“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.