SCHEMBL1815679

SCHEMBL1815679

C[C@](N)(CC1CCC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.45
GRM3 Q14832 2/20 0.45
ARG1 P05089 1/20 0.40
ARG2 P78540 1/20 0.40
GGT1 P19440 1/20 0.39
ALOX5 P09917 2/20 0.35
BLM P54132 2/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGFR P00533 1/20 0.33
CYP1A2 P05177 1/20 0.33
FYN P06241 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL27699325 1.00 GRM2 (0.45) GRM2GRM3ARG1ARG2GGT1
SCHEMBL28773150 0.96 GRM2 (0.49) GRM2GRM3ARG1ARG2GGT1
SCHEMBL1814400 0.96 GRM2 (0.49) GRM2GRM3ARG1ARG2GGT1
SCHEMBL3614328 0.94 GRM2 (0.51) GRM2GRM3ARG1ARG2GGT1
SCHEMBL8957923 0.94 GRM2 (0.51) GRM2GRM3ARG1ARG2GGT1
SCHEMBL3614325 0.94 GRM2 (0.51) GRM2GRM3ARG1ARG2GGT1
SCHEMBL25660659 0.91 ARG1 (0.42) GRM2GRM3ARG1ARG2GGT1
SCHEMBL24520311 0.84 ARG1 (0.38) GRM2GRM3ARG1ARG2GGT1
SCHEMBL14931694 0.83 ALOX5 (0.39) GRM2GRM3ALOX5THRATHRB
SCHEMBL27620501 0.82 GGT1 (0.47) GRM2GRM3ARG1ARG2GGT1

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 17 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
CN-101166524-B Amino acid derivatives PFIZER 2010-12-22 CN claimed
CN-101166524-A Amino acid derivatives PFIZER (GB) 2008-04-23 CN claimed
EP-1879567-A1 AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-01-23 EP claimed
US-20060247291-A1 Amino acid derivatives PFIZER, INC. 2006-11-02 US claimed
WO-2006114707-A1 AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-02 WO 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
CN-101166524-B Amino acid derivatives PFIZER 2010-12-22 CN disclosed
US-7612226-B2 Amino acid derivatives PFIZER INC. (US) 2009-11-03 US disclosed
US-7612226-B2 Amino acid derivatives PFIZER INC. (US) 2009-11-03 US disclosed
CN-101166524-A Amino acid derivatives PFIZER (GB) 2008-04-23 CN disclosed
EP-1879567-A1 AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-01-23 EP disclosed
US-20060247291-A1 Amino acid derivatives PFIZER, INC. 2006-11-02 US disclosed
WO-2006114707-A1 AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-02 WO disclosed
WO-2006114707-A1 AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-02 WO disclosed
WO-2006092692-A1 USE OF COMBINATIONS OF PDE7 INHIBITORS AND ALPHA-2-DELTY LIGANDS FOR THE TREATMENT OF NEUROPATHIC PAIN PFIZER LIMITED (GB) 2006-09-08 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-20060247291-A1 Amino acid derivatives OPRL1, BCAT2, BCAT1 GRM2 411/4885GRM3 235/4885ARG1 18/4885
US-20110130454-A1 PRODRUGS OF GAMMA-AMINO ACID, ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, OPRD1 GRM2 297/4885GRM3 728/4885ARG1 655/4885
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, CHRNG GRM2 664/4885GRM3 1671/4885ARG1 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.