SCHEMBL1815754

SCHEMBL1815754

CC(C)(C)CC[C@](C)(N)C(=O)O.CC(CCC(C)(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.44
GGT1 P19440 1/20 0.43
ARG1 P05089 2/20 0.40
ARG2 P78540 2/20 0.40
CYP1A2 P05177 1/20 0.39
LTA4H P09960 1/20 0.36
BLM P54132 2/20 0.35
NOS2 P35228 2/20 0.33
ACE2 Q9BYF1 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
NOS1 P29475 1/20 0.33
ENPEP Q07075 2/20 0.32
GRN P28799 1/20 0.31
SORT1 Q99523 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
SCHEMBL27286922 0.84 GABRR1 (0.52) GABRR1CYP1A2LTA4HBLMACE2
SCHEMBL3753790 0.84 GABRR1 (0.52) GABRR1CYP1A2LTA4HBLMACE2
SCHEMBL28466762 0.82 GABRR1 (0.50) GABRR1CYP1A2LTA4HBLMACE2
SCHEMBL1818554 0.82 GGT1 (0.58) GGT1ARG1ARG2CYP1A2BLM
Hydrochloric Acid SCHEMBL31156457 0.80 GGT1 (0.56) GGT1ARG1ARG2CYP1A2BLM
SCHEMBL8687592 0.76 GGT1 (0.65) GGT1ARG1ARG2CYP1A2BLM
SCHEMBL20825612 0.74 BLM (0.54) GABRR1CYP1A2LTA4HBLMACE2
SCHEMBL8827662 0.73 GABRR1 (0.56) GABRR1GGT1ARG1ARG2CYP1A2
SCHEMBL10443300 0.72 GABRR1 (0.43) GABRR1GGT1ARG1ARG2CYP1A2
SCHEMBL1300782 0.72 GABRR1 (0.43) GABRR1GGT1ARG1ARG2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-05-26 US claimed
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 GABRR1 648/4885GGT1 1354/4885ARG1 655/4885
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, CHRNG GABRR1 1069/4885GGT1 1665/4885ARG1 2293/4885

“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.