SCHEMBL4986586

SCHEMBL4986586

COc1cccc(C(C)C(C)CC(CN)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
GRIK1 P39086 1/20 0.45
GRIK2 Q13002 1/20 0.45
CASR P41180 1/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
AOC3 Q16853 2/20 0.43
CHEK1 O14757 1/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHEK2 O96017 1/20 0.42
PRKCG P05129 1/20 0.42
CDK1 P06493 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42
MAPK1 P28482 1/20 0.42
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42

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
SCHEMBL4984405 0.88 PTGS2 (0.46) L3MBTL1MAPK1AKR1C3AKR1C2PTGS1
SCHEMBL4990811 0.87 L3MBTL1 (0.50) L3MBTL1GRIK1GRIK2MTNR1AMTNR1B
SCHEMBL4987855 0.87 PTGS2 (0.39) GRIK1GRIK2GPR139AKR1C3AKR1C2
SCHEMBL4989941 0.85 GPR139 (0.46) GRIK1GRIK2GPR139TRPM8PTGS1
SCHEMBL4989886 0.84 GRIK1 (0.43) L3MBTL1GRIK1GRIK2AKR1C3AKR1C2
SCHEMBL4991444 0.83 KYNU (0.49) AKR1C3AKR1C2HTR1AADRA2ADRD1
SCHEMBL4988188 0.83 ACP3 (0.39) ROCK2GPR139AKR1C3AKR1C2
SCHEMBL4989684 0.82 L3MBTL1 (0.48) L3MBTL1GRIK1GRIK2MTNR1AMTNR1B
SCHEMBL4991536 0.82 SLC6A2 (0.42) GPR139SLC6A2SLC6A4
SCHEMBL4983872 0.82 MEN1 (0.43) GRIK1GRIK2MAPK1GPR139TRPM8

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 L3MBTL1 2862/4885GRIK1 413/4885GRIK2 201/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A L3MBTL1 2556/4885GRIK1 304/4885GRIK2 177/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A L3MBTL1 2799/4885GRIK1 415/4885GRIK2 196/4885

“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.