SCHEMBL2989773

SCHEMBL2989773

O=C1CCCCC(CCO)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.32
CRBN Q96SW2 2/20 0.31
FKBP5 Q13451 1/20 0.31
CTSD P07339 2/20 0.31
KCNA5 P22460 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGB2 P05107 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA2B P08514 1/20 0.31
ITGA5 P08648 1/20 0.31
ITGB5 P18084 1/20 0.31
ITGAL P20701 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL2994987 0.96 IRAK4 (0.33) IRAK4CRBNITGB3ITGB2ITGB1
SCHEMBL29742940 0.86 KMT2A (0.35) CRBNFKBP5CTSDKCNA5
SCHEMBL2984521 0.86
SCHEMBL1649789 0.86
SCHEMBL157216 0.86
SCHEMBL31048256 0.84 CREBBP (0.36) IRAK4CRBNFKBP5CTSDKCNA5
SCHEMBL2984642 0.84 CREBBP (0.36) IRAK4CRBNFKBP5CTSDKCNA5
SCHEMBL5026514 0.82
SCHEMBL2999352 0.82
SCHEMBL4381020 0.82

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222349-A1 QUINOLINE DERIVATIVES USED TO TREAT INFLAMMATORY AND ALLERGIC DISEASES GLAXO GROUP LIMITED (GB) 2010-09-02 US disclosed
US-20100184770-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-07-22 US disclosed
EP-2205585-A1 QUINOLINE DERIVATIVES USED TO TREAT INFLAMMATORY AND ALLERGIC DISEASES Glaxo Group Limited (GB) 2010-07-14 EP disclosed
EP-2091538-B1 4-BENZYL-1(2H)-PHTHALAZINONES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2010-03-03 EP disclosed
EP-2091538-A2 4-BENZYL-L(2H)-PHTHALAZINONES AS H1 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2009-08-26 EP disclosed
WO-2009050204-A1 QUINOLINE DERIVATIVES USED TO TREAT INFLAMMATORY AND ALLERGIC DISEASES GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
WO-2008074803-A2 4-BENZYL-L ( 2H) -PHTHALAZINONES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 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-20100184770-A1 COMPOUNDS CMA1, TSLP, IL5 IRAK4 810/4885CRBN 1723/4885FKBP5 596/4885
US-20100222349-A1 QUINOLINE DERIVATIVES USED TO TREAT INFLAMMATORY AND ALLERGIC DISEASES IL5, HRH2, HRH1 IRAK4 171/4885CRBN 2355/4885FKBP5 1916/4885

“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.