SCHEMBL2821532

SCHEMBL2821532

O=c1c2ccccc2c(Cl)nn1C[C@H]1CCCN1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 1/20 0.42
▸ HRH1 P35367 8/20 0.42
▸ ADRA1B P35368 7/20 0.42
▸ ADRA1A P35348 6/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.42
▸ HTR1A P08908 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ HTR6 P50406 5/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ P2RX7 Q99572 2/20 0.38

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 0.82 ADRA1A (0.66) HRH1ADRA1BADRA1AKCNH2HRH3
SCHEMBL4791221 0.82 ADRA1A (0.66) HRH1ADRA1BADRA1AKCNH2HRH3
SCHEMBL2430475 0.82 ADRA1A (0.66) HRH1ADRA1BADRA1AKCNH2HRH3
SCHEMBL2819425 0.75 HRH1 (0.69) HRH1ADRA1BADRA1AKCNH2HRH3
SCHEMBL4538151 0.72 ADRA1A (0.67) HRH1ADRA1BADRA1AKCNH2HRH3
SCHEMBL2434621 0.72 ADRA1A (0.67) HRH1ADRA1BADRA1AKCNH2HRH3
SCHEMBL2821789 0.72 HRH1 (0.49) HRH1ADRA1BADRA1AKCNH2HRH3
SCHEMBL11640333 0.71 ALDH1A1 (0.45) HRH1ADRA1BADRA1ACYP2D6
SCHEMBL13728276 0.70 MAPT (0.56) CYP2D6
SCHEMBL15816631 0.68 ALDH1A1 (0.67) CYP2D6

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 MERTK 3391/4885HRH1 4/4885ADRA1B 308/4885
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists HRH2, HRH3, HRH4 MERTK 2159/4885HRH1 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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