SCHEMBL2994987

SCHEMBL2994987

O=C1CCCC(CCO)N1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.33
ITGB3 P05106 1/20 0.32
ITGB2 P05107 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA2B P08514 1/20 0.32
ITGA5 P08648 1/20 0.32
ITGB5 P18084 1/20 0.32
ITGAL P20701 1/20 0.32
CRBN Q96SW2 1/20 0.32
OR51E2 Q9H255 1/20 0.30
PDCD1LG2 Q9BQ51 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL2989773 0.96 IRAK4 (0.32) IRAK4ITGB3ITGB2ITGB1ITGAV
SCHEMBL1649789 0.89
SCHEMBL2984521 0.89
SCHEMBL157216 0.89
SCHEMBL2999352 0.85
SCHEMBL4381020 0.85
SCHEMBL5026514 0.85
SCHEMBL5963378 0.82 AR (0.35) IRAK4CRBNPDCD1LG2CD274
SCHEMBL25255061 0.81 ITGB1 (0.40) IRAK4ITGB3ITGB2ITGB1ITGAV
SCHEMBL29742940 0.81 KMT2A (0.35) CRBNOR51E2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-53025573-A None JP disclosed
EP-2970099-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2016-01-20 EP disclosed
WO-2014164905-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-10-09 WO disclosed
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
EP-1608619-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2005-12-28 EP disclosed
WO-2004094382-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 WO disclosed
EP-0293740-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED LACTAMS BASF Aktiengesellschaft (DE) 1992-12-02 EP disclosed
US-4874865-A Preparation of substituted lactams BASF AKTIENGESELLSCHAFT (DE) 1989-10-17 US disclosed
EP-0293740-A2 Process for the preparation of substituted lactams BASF Aktiengesellschaft (DE) 1988-12-07 EP disclosed
JP-S5325573-A OPTICAL ACTIVE 6-OXO-PIPERIDINEETHANOLS AND THEIR PREPARATION TEIJIN LTD 1978-03-09 JP 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 810/4885ITGB3 4507/4885ITGB2 3979/4885
US-20100222349-A1 QUINOLINE DERIVATIVES USED TO TREAT INFLAMMATORY AND ALLERGIC DISEASES IL5, HRH2, HRH1 IRAK4 171/4885ITGB3 4494/4885ITGB2 4231/4885

“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.