SCHEMBL94990

SCHEMBL94990

[O]Cn1nnnc1CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.52
HSD11B1 P28845 2/20 0.46
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
GLA P06280 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
P2RX7 Q99572 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL94528 0.90 DAGLA (0.51) DAGLAHSD11B1ALDH1A1GAAMEN1
SCHEMBL2092704 0.84 CNR2 (0.54) DAGLAHSD11B1ALDH1A1MEN1KMT2A
SCHEMBL94949 0.83 DAGLA (0.47) DAGLAHSD11B1ALDH1A1GAAKDM4E
SCHEMBL94991 0.83 DAGLA (0.52) DAGLAHSD11B1ALDH1A1GAAMEN1
SCHEMBL2090533 0.78 ALDH1A1 (0.54) DAGLAHSD11B1ALDH1A1GAAMEN1
SCHEMBL94950 0.76 ALDH1A1 (0.47) DAGLAHSD11B1ALDH1A1GAALMNA
SCHEMBL96027 0.76 SLC6A2 (0.49) DAGLAHSD11B1ALDH1A1GAAKDM4E
SCHEMBL2097331 0.74 SLC6A2 (0.48) DAGLAHSD11B1ALDH1A1GAAKDM4E
SCHEMBL96819 0.74 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL94529 0.73 DAGLA (0.51) DAGLAHSD11B1ALDH1A1GAAMEN1

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 170/4885ALDH1A1 2948/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 DAGLA 2873/4885HSD11B1 455/4885ALDH1A1 2458/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 DAGLA 2873/4885HSD11B1 455/4885ALDH1A1 2458/4885

“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.