SCHEMBL4989306

SCHEMBL4989306

CCC(CCCc1cc(C)cc(C)c1)CC(CN)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.40
ERAP2 Q6P179 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
GRIK1 P39086 2/20 0.38
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
CPB2 Q96IY4 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
MMP2 P08253 1/20 0.32
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC1A2 P43004 3/20 0.31
SLC1A1 P43005 3/20 0.31
SLC1A3 P43003 2/20 0.31
SLC7A5 Q01650 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
SCHEMBL4989788 0.92 ANPEP (0.44) ANPEPERAP2ERAP1GRIK1HTT
SCHEMBL4987643 0.90 ANPEP (0.33) ANPEPERAP2ERAP1GRIK1HTT
SCHEMBL4983574 0.88 GRIK1 (0.43) ANPEPERAP2ERAP1GRIK1KDM4E
SCHEMBL4983416 0.87 GRIK1 (0.44) GRIK1MAPK1GRIK2
SCHEMBL4986430 0.87 PTGS2 (0.41) GRIK1CPB2CA2MAPK1SLC1A2
SCHEMBL4987558 0.86 GRIK1 (0.37) GRIK1CPB2MMP2CA2MAPK1
SCHEMBL4983661 0.86 GRIK1 (0.37) GRIK1CPB2MMP2CA2MAPK1
SCHEMBL4983988 0.85 LNPEP (0.31) ANPEPERAP2ERAP1GRIK1HTT
SCHEMBL4983506 0.85 PTGS2 (0.39) GRIK1AKR1C3AKR1C2
SCHEMBL4997611 0.84 ANPEP (0.41) ANPEPERAP2ERAP1GRIK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 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 (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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 ANPEP 750/4885ERAP2 802/4885ERAP1 1331/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ANPEP 691/4885ERAP2 655/4885ERAP1 1085/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ANPEP 644/4885ERAP2 731/4885ERAP1 1300/4885

“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.