SCHEMBL94528

SCHEMBL94528

[O]Cn1nnnc1CCCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 4/20 0.51
HSD11B1 P28845 2/20 0.43
TRPV1 Q8NER1 1/20 0.42
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL94990 0.90 DAGLA (0.52) DAGLAHSD11B1ALDH1A1GAAMEN1
SCHEMBL94529 0.84 DAGLA (0.51) DAGLAHSD11B1TRPV1SLC6A2SLC6A4
SCHEMBL2092704 0.81 CNR2 (0.54) DAGLAHSD11B1TRPV1ALDH1A1MEN1
SCHEMBL2097331 0.81 SLC6A2 (0.48) DAGLAHSD11B1SLC6A2SLC6A4SLC6A3
SCHEMBL97020 0.80 SLC6A2 (0.47) DAGLASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL96779 0.80 SLC6A2 (0.47) DAGLASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL3034926 0.80 DAGLA (0.45) DAGLAHSD11B1SLC6A2SLC6A4SLC6A3
SCHEMBL95272 0.80 ALDH1A1 (0.50) DAGLAALDH1A1MEN1KMT2ALMNA
SCHEMBL96027 0.79 SLC6A2 (0.49) DAGLAHSD11B1SLC6A2SLC6A4SLC6A3
SCHEMBL3021142 0.78 DAGLA (0.49) DAGLAHSD11B1SLC6A2SLC6A4SLC6A3

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 DAGLA 3989/4885HSD11B1 170/4885TRPV1 3946/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 DAGLA 2873/4885HSD11B1 455/4885TRPV1 1394/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 DAGLA 2873/4885HSD11B1 455/4885TRPV1 1394/4885

“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.