SCHEMBL1817121

SCHEMBL1817121

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 6/20 0.53
SLC1A3 P43003 5/20 0.53
SLC1A1 P43005 5/20 0.53
GABRR1 P24046 2/20 0.39
SLC7A5 Q01650 1/20 0.39
CACNA2D1 P54289 2/20 0.38
ADRA1A P35348 2/20 0.38
CACNB3 P54284 1/20 0.38
CACNA1C Q13936 1/20 0.38
PGR P06401 1/20 0.38
HTR2B P41595 1/20 0.38
CACNA2D2 Q9NY47 1/20 0.38
BLM P54132 1/20 0.38
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL1814055 1.00 SLC1A2 (0.53) SLC1A2SLC1A3SLC1A1GABRR1SLC7A5
SCHEMBL3997600 0.89 BLM (0.53) SLC1A2SLC1A3SLC1A1GABRR1SLC7A5
SCHEMBL3993617 0.84 CHRM1 (0.52) SLC1A2SLC1A3SLC1A1GABRR1ADRA1A
SCHEMBL3994575 0.84 CHRM1 (0.52) SLC1A2SLC1A3SLC1A1GABRR1ADRA1A
SCHEMBL3993568 0.84 CHRM1 (0.52) SLC1A2SLC1A3SLC1A1GABRR1ADRA1A
SCHEMBL5695081 0.83 SLC1A3 (0.50) SLC1A2SLC1A3SLC1A1GABRR1SLC7A5
SCHEMBL5378219 0.83 SLC1A3 (0.61) SLC1A2SLC1A3SLC1A1GABRR1SLC7A5
SCHEMBL977889 0.83 SLC1A3 (0.61) SLC1A2SLC1A3SLC1A1GABRR1SLC7A5
Hydrochloric Acid SCHEMBL15688771 0.81 SLC1A3 (0.59) SLC1A2SLC1A3SLC1A1GABRR1SLC7A5
SCHEMBL3997624 0.81 SLC1A2 (0.53) SLC1A2SLC1A3SLC1A1ADRA1AGRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130454-A1 PRODRUGS OF GAMMA-AMINO ACID, ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-06-02 US disclosed
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-05-26 US 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-20110130454-A1 PRODRUGS OF GAMMA-AMINO ACID, ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, OPRD1 SLC1A2 124/4885SLC1A3 491/4885SLC1A1 334/4885
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, CHRNG SLC1A2 1873/4885SLC1A3 3365/4885SLC1A1 2893/4885

“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.