SCHEMBL4992828

SCHEMBL4992828

CCC(Cc1c(C)c(C)c(C)c(C)c1C)CC(CN)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.37
SLC1A2 P43004 3/20 0.37
SLC1A1 P43005 3/20 0.37
CPB2 Q96IY4 1/20 0.36
CHRM1 P11229 2/20 0.33
ADRA1A P35348 2/20 0.33
TBXA2R P21731 1/20 0.33
PDE4A P27815 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 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
SCHEMBL4989447 0.88 CPB2 (0.36) SLC1A3SLC1A2SLC1A1CPB2CHRM1
SCHEMBL4984502 0.86 CPB2 (0.35) SLC1A3SLC1A2SLC1A1CPB2CHRM1
SCHEMBL4987023 0.84 TDP1 (0.37) SLC1A3SLC1A2SLC1A1CPB2CHRM1
SCHEMBL4994542 0.84 CPB2 (0.35) SLC1A3SLC1A2SLC1A1CPB2CHRM1
SCHEMBL4986542 0.83 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1CPB2CHRM1
SCHEMBL4988298 0.83 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1CPB2CHRM1
SCHEMBL4986482 0.83 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1CPB2CHRM1
SCHEMBL4983557 0.82 CPB2 (0.36) SLC1A3SLC1A2SLC1A1CPB2CHRM1
SCHEMBL4993544 0.82 PPARG (0.38) SLC1A3SLC1A2SLC1A1CPB2CHRM1
SCHEMBL3996450 0.80 SLC1A2 (0.48) SLC1A3SLC1A2SLC1A1CPB2CHRM1

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 SLC1A3 118/4885SLC1A2 57/4885SLC1A1 106/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A SLC1A3 128/4885SLC1A2 42/4885SLC1A1 111/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A SLC1A3 104/4885SLC1A2 29/4885SLC1A1 91/4885

“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.