SCHEMBL473722

SCHEMBL473722

C=CCC(C)C(O)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.33
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
ABCC4 O15439 1/20 0.33
CYP2C19 P33261 1/20 0.32
CPA1 P15085 1/20 0.32
GABRR1 P24046 2/20 0.32
LMNA P02545 1/20 0.32
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GPR84 Q9NQS5 1/20 0.31

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
SCHEMBL9576393 0.83 SLC22A6 (0.37) SLC22A6SMN1; SMN2MAPTGRIK1GRIK2
SCHEMBL11193872 0.80 SLC22A6 (0.42) SLC22A6SMN1; SMN2MAPTGRIK1GRIK2
SCHEMBL1875394 0.80 SLC22A6 (0.34) SLC22A6SMN1; SMN2MAPTGRIK1GRIK2
SCHEMBL1883682 0.80 SLC22A6 (0.31) SLC22A6CPA1GPR84
SCHEMBL473860 0.79 ALDH1A1 (0.42) MAPTLMNATDP1
SCHEMBL3966053 0.78 GRIK1 (0.38) SLC22A6SMN1; SMN2MAPTGRIK1GRIK2
SCHEMBL3966055 0.78 GRIK1 (0.38) SLC22A6SMN1; SMN2MAPTGRIK1GRIK2
SCHEMBL13573121 0.77 SLC22A6 (0.48) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
SCHEMBL473765 0.76 SLC22A6 (0.34) SLC22A6SMN1; SMN2MAPTGRIK1GRIK2
SCHEMBL18204068 0.76 ALDH1A1 (0.40) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412700-B1 METHOD FOR PRODUCING BICYCLIC GAMMA-AMINO ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-11-09 EP disclosed
EP-2657219-B1 Intermediate for producing bicyclic y-amino acid derivative DAIICHI SANKYO CO LTD (JP) 2014-12-10 EP disclosed
EP-2657219-A1 Intermediate for producing bicyclic y-amino acid derivative Daiichi Sankyo Company, Limited (JP) 2013-10-30 EP disclosed
EP-2192109-B1 BICYCLIC -AMINO ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-09-04 EP disclosed
US-8324425-B2 Method for producing bicyclic γ-amino acid derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-04 US disclosed
US-20120071685-A1 METHOD FOR PRODUCING BICYCLIC gamma-AMINO ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2412700-A1 METHOD FOR PRODUCING BICYCLIC GAMMA-AMINO ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-02-01 EP disclosed
US-7947738-B2 Bicyclic γ-amino acid derivative DAIICHI SANKYO COMPANY, LTD. (JP) 2011-05-24 US disclosed
US-20100249229-A1 BICYCLIC gamma-AMINO ACID DERIVATIVE DAIICHI SANKYO COMPANY, LTD. (JP) 2010-09-30 US disclosed
EP-2192109-A1 BICYCLIC -AMINO ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-06-02 EP 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-20100249229-A1 BICYCLIC gamma-AMINO ACID DERIVATIVE GLRA2, GLRB, BCAT1 SLC22A6 1629/4885SMN1; SMN2 4663/4885MAPT 3962/4885
US-20120071685-A1 METHOD FOR PRODUCING BICYCLIC gamma-AMINO ACID DERIVATIVE ADRA2A, GABRB2, ADRB2 SLC22A6 2457/4885SMN1; SMN2 3882/4885MAPT 3588/4885

“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.