SCHEMBL2819829

SCHEMBL2819829

CCOC(=O)c1ccc2c(c1)CCNCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA7 P43166 3/20 0.51
CA9 Q16790 3/20 0.51
CA14 Q9ULX7 3/20 0.51
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 3/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
MEN1 O00255 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
HCRTR1 O43613 2/20 0.47
HSD17B2 P37059 1/20 0.47
MAPK1 P28482 3/20 0.46

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
SCHEMBL30782362 0.91 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL1019877 0.91 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL31532288 0.91 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL19590797 0.91 CA12 (0.49) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL1019876 0.90 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL16329478 0.86 ALDH1A1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL457941 0.86 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL31359527 0.86 ALDH1A1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL1263166 0.83 MELK (0.50) CA12CA1CA2CA7CA9
SCHEMBL6160892 0.81 CA12 (0.54) CA12CA1CA2CA7CA9

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 CA12 530/4885CA1 1317/4885CA2 641/4885
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists HRH2, HRH3, HRH4 CA12 3400/4885CA1 3809/4885CA2 969/4885

“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.