SCHEMBL4989638

SCHEMBL4989638

CCC(CC(CN)C(=O)O)c1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
AKR1C3 P42330 7/20 0.46
AKR1C2 P52895 7/20 0.46
AKR1C1 Q04828 2/20 0.46
PTGS1 P23219 1/20 0.46
PPARG P37231 1/20 0.44
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
LDHA P00338 1/20 0.43
ALDH1A1 P00352 1/20 0.43
APP P05067 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP17A1 P05093 1/20 0.41
GRM8 O00222 1/20 0.40
GRM6 O15303 1/20 0.40
GRM4 Q14833 1/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1C4 P17516 1/20 0.40

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
SCHEMBL4988083 0.87 AKR1C3 (0.45) FFAR1AKR1C3AKR1C2ALDH1A1CYP2C19
SCHEMBL4986341 0.86 AKR1C3 (0.43) FFAR1AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL4989684 0.84 L3MBTL1 (0.48) FFAR1L3MBTL1AKR1C3AKR1C2AKR1C1
SCHEMBL4994275 0.84 PPARA (0.48) PPARGGRIK1GRIK2ALDH1A1
SCHEMBL4990424 0.84 ESR1 (0.47) PTGS1APPCYP2C19
SCHEMBL4992187 0.84 GRIK1 (0.40) FFAR1AKR1C3AKR1C2GRIK1GRIK2
SCHEMBL4986636 0.83 ACHE (0.51) AKR1C3AKR1C2PPARGGRIK1GRIK2
SCHEMBL4994829 0.82 GABBR2 (0.54) FFAR1PPARGGRIK1GRIK2CYP2C19
SCHEMBL4989723 0.82 GABBR2 (0.45) FFAR1AKR1C3AKR1C2GRIK1GRIK2
SCHEMBL4983941 0.82 LDHA (0.45) FFAR1L3MBTL1AKR1C3AKR1C2AKR1C1

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 FFAR1 2235/4885L3MBTL1 2862/4885AKR1C3 4710/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A FFAR1 1923/4885L3MBTL1 2556/4885AKR1C3 4658/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A FFAR1 2117/4885L3MBTL1 2799/4885AKR1C3 4657/4885

“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.