SCHEMBL97553

SCHEMBL97553

O=[C]C1CCOc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
LMNA P02545 2/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
SSTR4 P31391 1/20 0.36
TRPV1 Q8NER1 4/20 0.36
MAP3K14 Q99558 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
DPP4 P27487 1/20 0.34
MAPK1 P28482 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34

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
SCHEMBL768353 0.81 ITGB2 (0.41) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL29959911 0.81 ITGB2 (0.41) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL3516397 0.81 LTB4R (0.40) ITGB2ICAM1ITGAL
SCHEMBL26769086 0.77 ITGB2 (0.38) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL8083561 0.75 ITGB2 (0.46) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL131444 0.75 ITGB2 (0.46) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL21950419 0.72 ITGB2 (0.48) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL20870671 0.72 ITGB2 (0.48) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL129421 0.72 ITGB2 (0.48) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL4226634 0.71 TRPV1 (0.54) SSTR4TRPV1CNR1CNR2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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 (3 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB ITGB2 3777/4885ICAM1 824/4885ITGAL 4116/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ITGB2 2744/4885ICAM1 3746/4885ITGAL 1519/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ITGB2 2744/4885ICAM1 3746/4885ITGAL 1519/4885

“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.