SCHEMBL4993773

SCHEMBL4993773

CCC(CC(CN)C(=O)O)c1c(O)cc(O)cc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
DRD3 P35462 2/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
PTGS1 P23219 1/20 0.35
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
GAA P10253 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
LMNA P02545 2/20 0.32
HIF1A Q16665 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

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
SCHEMBL4993490 0.85 SLC1A1 (0.35) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL4991450 0.84 TDP1 (0.33) CYP3A4MEN1KMT2ADRD3SLC1A3
SCHEMBL4986183 0.83 FOLH1 (0.37) DRD3SLC1A3SLC1A2SLC1A1TDP1
SCHEMBL27644100 0.81 SLC1A1 (0.44) CYP3A4MEN1KMT2ADRD3SLC1A3
SCHEMBL4986653 0.81 PTGES (0.40) CYP3A4MEN1KMT2ADRD3SLC1A3
SCHEMBL4987377 0.81 MEN1 (0.39) CYP3A4MEN1KMT2AGAACYP1A2
SCHEMBL4988079 0.81 GAA (0.35) DRD3SLC1A3SLC1A2SLC1A1TDP1
SCHEMBL4985057 0.79 SLC6A2 (0.38) SLC1A3SLC1A2SLC1A1LMNAHIF1A
SCHEMBL4986118 0.79 GRIK1 (0.35) CYP3A4MEN1KMT2ADRD3SLC1A3
SCHEMBL4995005 0.79 PTGES (0.35) CYP3A4MEN1KMT2ADRD3SLC1A3

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 CYP3A4 2830/4885MEN1 4182/4885KMT2A 1674/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CYP3A4 3250/4885MEN1 4290/4885KMT2A 1763/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CYP3A4 2857/4885MEN1 4287/4885KMT2A 1678/4885

“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.