SCHEMBL1875394

SCHEMBL1875394

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32
MAPT P10636 2/20 0.31
ABCC4 O15439 1/20 0.31
CYP2C19 P33261 1/20 0.31
CPA1 P15085 1/20 0.31
GABRR1 P24046 2/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL1883682 0.84 SLC22A6 (0.31) SLC22A6CPA1
SCHEMBL1884184 0.80 ALDH1A1 (0.40) LMNA
SCHEMBL473722 0.80 SLC22A6 (0.37) SLC22A6SMN1; SMN2GRIK1GRIK2MAPT
SCHEMBL11193872 0.77 SLC22A6 (0.42) SLC22A6SMN1; SMN2GRIK1GRIK2MAPT
SCHEMBL9576393 0.76 SLC22A6 (0.37) SLC22A6SMN1; SMN2GRIK1GRIK2MAPT
SCHEMBL473765 0.73 SLC22A6 (0.34) SLC22A6SMN1; SMN2GRIK1GRIK2MAPT
SCHEMBL21930480 0.73
SCHEMBL21930775 0.73
SCHEMBL6076325 0.73
SCHEMBL3836312 0.72 SLC22A6 (0.37) SLC22A6SMN1; SMN2GRIK1GRIK2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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 4663/4885GRIK1 317/4885

“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.