SCHEMBL4993293

SCHEMBL4993293

CCC(CC(CN)C(=O)O)c1c(C)ccc(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKR1C3 P42330 3/20 0.32
AKR1C2 P52895 3/20 0.32
PPARG P37231 1/20 0.32
NR4A2 P43354 1/20 0.32
AKR1B10 O60218 1/20 0.30
AKR1C4 P17516 1/20 0.30
AKR1C1 Q04828 1/20 0.30
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL4993701 0.87 PPARG (0.37) SLC1A3SLC1A2SLC1A1AKR1C3AKR1C2
SCHEMBL4986566 0.84 SLC1A3 (0.33) SLC1A3SLC1A2SLC1A1SMN1; SMN2AKR1C3
SCHEMBL4990146 0.82 ALDH1A1 (0.33) SLC1A3SLC1A2SLC1A1PPARGGRIK1
SCHEMBL27644087 0.82 SLC1A1 (0.43) SLC1A3SLC1A2SLC1A1SMN1; SMN2GRIK1
SCHEMBL4985057 0.81 SLC6A2 (0.38) SLC1A3SLC1A2SLC1A1SMN1; SMN2AKR1C3
SCHEMBL4984969 0.80 LMNA (0.36) SLC1A3SLC1A2SLC1A1PPARGGRIK1
SCHEMBL4990830 0.79 ALDH1A1 (0.32) SLC1A3SLC1A2GRIK1GRIK2CYP2C19
SCHEMBL4992690 0.78 SMN1; SMN2 (0.42) SLC1A3SLC1A2SLC1A1SMN1; SMN2AKR1C3
SCHEMBL4993490 0.78 SLC1A1 (0.35) SLC1A3SLC1A2SLC1A1PPARGNR4A2
SCHEMBL4984919 0.77 SMN1; SMN2 (0.35) SLC1A3SLC1A2SLC1A1SMN1; SMN2AKR1C3

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.