SCHEMBL94950

SCHEMBL94950

OCCCCn1nnnc1CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
GAA P10253 3/20 0.47
DAGLA Q9Y4D2 2/20 0.47
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
USP2 O75604 1/20 0.41
HSD11B1 P28845 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 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
SCHEMBL94949 0.85 DAGLA (0.47) ALDH1A1GAADAGLATSHRKDM4E
SCHEMBL94991 0.83 DAGLA (0.52) ALDH1A1GAADAGLATSHRKDM4E
SCHEMBL96780 0.82 SLC6A2 (0.47) ALDH1A1GAADAGLATSHRKDM4E
SCHEMBL97021 0.82 SLC6A2 (0.47) ALDH1A1GAADAGLATSHRKDM4E
SCHEMBL96028 0.82 SLC6A2 (0.49) ALDH1A1GAADAGLATSHRKDM4E
SCHEMBL95273 0.79 ALDH1A1 (0.50) ALDH1A1DAGLATSHRRAB9ALMNA
SCHEMBL3032215 0.78 SLC6A2 (0.46) ALDH1A1GAADAGLATSHRKDM4E
SCHEMBL3015966 0.78 SLC6A2 (0.48) ALDH1A1GAADAGLATSHRKDM4E
SCHEMBL2097331 0.78 SLC6A2 (0.48) ALDH1A1GAADAGLATSHRKDM4E
SCHEMBL3029430 0.77 SLC6A2 (0.45) ALDH1A1GAADAGLATSHRKDM4E

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 9 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
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 ALDH1A1 2948/4885GAA 4574/4885DAGLA 3989/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885GAA 4784/4885DAGLA 2873/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885GAA 4784/4885DAGLA 2873/4885

“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.