SCHEMBL4986372

SCHEMBL4986372

CCC(CC(CN)C(=O)O)c1cccc(O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
TYR P14679 1/20 0.41
ACHE P22303 1/20 0.41
TSHR P16473 1/20 0.36
IAPP P10997 6/20 0.33
HIF1A Q16665 2/20 0.33
CYP1A2 P05177 1/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32
ALOX5 P09917 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL4991102 0.89 TSHR (0.45) TSHRCYP1A2SLC1A3SLC1A2SLC1A1
SCHEMBL4989718 0.87 ADRA2A (0.36) BCHETYRACHETSHRHIF1A
SCHEMBL4993490 0.84 SLC1A1 (0.35) TSHRHIF1ACYP1A2SLC1A3SLC1A2
SCHEMBL4994105 0.83 TSHR (0.38) BCHETYRACHETSHRIAPP
SCHEMBL27665412 0.83 KDM4E (0.44) BCHETYRACHETSHRHIF1A
SCHEMBL4989616 0.81 BCHE (0.35) BCHETYRACHETSHRIAPP
SCHEMBL4991450 0.81 TDP1 (0.33) HIF1ACYP1A2SLC1A3SLC1A2SLC1A1
SCHEMBL4984969 0.81 LMNA (0.36) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL4988079 0.80 GAA (0.35) TSHRHIF1ASLC1A3SLC1A2SLC1A1
SCHEMBL4990884 0.80 PPARG (0.39) CYP1A2SLC1A3SLC1A2SLC1A1GRIK1

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 BCHE 3713/4885TYR 3971/4885ACHE 1777/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A BCHE 2767/4885TYR 3532/4885ACHE 1015/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A BCHE 3217/4885TYR 3748/4885ACHE 1462/4885

“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.