SCHEMBL2820146

SCHEMBL2820146

O=c1c2ccncc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 20/20 1.00
▸ HRH1 P35367 20/20 1.00
▸ HRH3 Q9Y5N1 20/20 1.00
▸ ADRA1B P35368 19/20 1.00
▸ KCNH2 Q12809 10/20 1.00
▸ CYP3A4 P08684 1/20 0.84
▸ CYP2D6 P10635 1/20 0.84
▸ HRH2 P25021 1/20 0.84
▸ HRH4 Q9H3N8 1/20 0.84

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
SCHEMBL4540571 1.00 ADRA1A (1.00) ADRA1AHRH1HRH3ADRA1BKCNH2
Gsk-1004723 SCHEMBL986140 0.91 ADRA1A (1.00) ADRA1AHRH1HRH3ADRA1BKCNH2
Gsk-1004723 SCHEMBL2823883 0.91 ADRA1A (1.00) ADRA1AHRH1HRH3ADRA1BKCNH2
Gsk-1004723 SCHEMBL2819051 0.91 ADRA1A (1.00) ADRA1AHRH1HRH3ADRA1BKCNH2
SCHEMBL2820953 0.91 ADRA1A (1.00) ADRA1AHRH1HRH3ADRA1BKCNH2
SCHEMBL13890825 0.86 ADRA1A (0.75) ADRA1AHRH1HRH3ADRA1BKCNH2
SCHEMBL22847921 0.85 HRH3 (0.88) ADRA1AHRH1HRH3ADRA1BKCNH2
SCHEMBL2820231 0.84 HRH1 (1.00) ADRA1AHRH1HRH3ADRA1BKCNH2
SCHEMBL2820984 0.84 HRH1 (1.00) ADRA1AHRH1HRH3ADRA1BKCNH2
SCHEMBL2820304 0.84 ADRA1A (0.86) 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 9 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
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-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

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.

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