SCHEMBL4987643

SCHEMBL4987643

CCC(CCCc1c(C)cc(C)cc1C)CC(CN)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
GRIK1 P39086 3/20 0.33
CPB2 Q96IY4 1/20 0.32
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 2/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
PDE4A P27815 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
SLC1A2 P43004 3/20 0.31
SLC1A1 P43005 3/20 0.31
SLC1A3 P43003 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
GRIK2 Q13002 2/20 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
SCHEMBL4989806 0.93 ANPEP (0.33) ANPEPERAP2ERAP1GRIK1CPB2
SCHEMBL4989306 0.90 ANPEP (0.40) ANPEPERAP2ERAP1GRIK1CPB2
SCHEMBL4983988 0.88 LNPEP (0.31) ANPEPERAP2ERAP1GRIK1CPB2
SCHEMBL4987957 0.87 GRIK1 (0.38) GRIK1CPB2CA2MAPK1ALDH1A1
SCHEMBL4989241 0.85 NPC1 (0.33) ANPEPERAP2ERAP1GRIK1CPB2
SCHEMBL4983557 0.85 CPB2 (0.36) ANPEPERAP2ERAP1GRIK1CPB2
SCHEMBL4986304 0.84 GRIK1 (0.34) ANPEPERAP2ERAP1GRIK1CPB2
SCHEMBL4989788 0.84 ANPEP (0.44) ANPEPERAP2ERAP1GRIK1CPB2
SCHEMBL4989504 0.83 SLC28A3 (0.34) GRIK1CPB2CA2MAPK1LMNA
SCHEMBL4983439 0.83 BCL2L1 (0.35) GRIK1CPB2CA2MAPK1LMNA

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.