SCHEMBL4791221

SCHEMBL4791221

O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1CC1CCCN1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 16/20 0.66
▸ HRH1 P35367 16/20 0.66
▸ ADRA1B P35368 16/20 0.66
▸ HRH3 Q9Y5N1 10/20 0.66
▸ KCNH2 Q12809 7/20 0.66
▸ ABCB1 P08183 1/20 0.59

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
SCHEMBL2429351 1.00 ADRA1A (0.66) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL2430475 1.00 ADRA1A (0.66) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL2434621 0.88 ADRA1A (0.67) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL4538151 0.88 ADRA1A (0.67) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL2819425 0.87 HRH1 (0.69) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL2429871 0.85 HRH1 (0.64) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL2821532 0.82 MERTK (0.42) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL2995908 0.77 ADRA1A (0.67) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL13241554 0.77 ADRA1A (0.67) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL2819968 0.76 HRH1 (0.74) ADRA1AHRH1ADRA1BHRH3KCNH2

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 10 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
WO-2009050159-A1 COMBINATION OF FLUTICASONE FUROATE WITH 4- [ (4-CHL0R0PHENYL)METHYL] -2- ({ (2R)-I- [4-(4-{ [3-(HEXAHYDR0-LH-AZEPIN-L-YL) PROPYL ] OXY} PHENYL) BUTYL] -2-PYRROLIDINYL}METHYL) -1 (2H) - PHTHALAZ INONE GLAXO GROUP LIMITED (GB) 2009-04-23 — — WO 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
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-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
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 4/4885ADRA1B 308/4885
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists HRH2, HRH3, HRH4 ADRA1A 150/4885HRH1 4/4885ADRA1B 134/4885

“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.

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