SCHEMBL2819831

SCHEMBL2819831

O=Cc1cc2c(cc1O)CCN(C1CCC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 13/20 0.43
▸ CYP2D6 P10635 3/20 0.40
▸ FYN P06241 1/20 0.40
▸ ACHE P22303 1/20 0.38
▸ POLA1 P09884 2/20 0.38
▸ HDAC6 Q9UBN7 1/20 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
SCHEMBL646225 0.77 MEN1 (0.43) ACHEPOLA1
SCHEMBL29442689 0.77 KDM4E (0.48) ACHEPOLA1
SCHEMBL1506593 0.77 KDM4E (0.48) ACHEPOLA1
SCHEMBL29442662 0.77 MEN1 (0.43) ACHEPOLA1
SCHEMBL20869626 0.77 DRD2 (0.44) HRH3FYNHDAC6
Bromide SCHEMBL20854668 0.76 DRD2 (0.43) HRH3FYNHDAC6
SCHEMBL19604782 0.73 ACHE (0.39) ACHEPOLA1
SCHEMBL2820210 0.73 HRH3 (0.54) HRH3CYP2D6
SCHEMBL19604788 0.73 ACHE (0.39) ACHEPOLA1
SCHEMBL2824273 0.72 HRH3 (0.56) HRH3CYP2D6

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 3 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
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 HRH3 16/4885CYP2D6 177/4885FYN 2328/4885
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists HRH2, HRH3, HRH4 HRH3 2/4885CYP2D6 398/4885FYN 3525/4885

“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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