SCHEMBL4992264

SCHEMBL4992264

Cc1ccc(C(C)CC(CN)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
STAT3 P40763 1/20 0.44
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
TAAR1 Q96RJ0 2/20 0.40
ALOX5 P09917 1/20 0.40
KIF11 P52732 4/20 0.39
LMNA P02545 2/20 0.38
FFAR1 O14842 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
POLB P06746 2/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL4987299 0.87 ESR1 (0.44) GRIK1GRIK2TAAR1CYP2C19
SCHEMBL4986551 0.85 GABBR2 (0.41) GRIK1GRIK2TAAR1LMNAFFAR1
SCHEMBL4989822 0.85 GABBR2 (0.49) GRIK1GRIK2LMNAPOLBCYP2C19
SCHEMBL4992840 0.84 GRIK1 (0.40) ACHESTAT3GRIK1GRIK2ALOX5
SCHEMBL4989650 0.83 PTGS2 (0.37) GRIK1GRIK2TAAR1AKR1C3AKR1C2
SCHEMBL4983941 0.83 LDHA (0.45) GRIK1GRIK2ALOX5FFAR1AKR1C3
SCHEMBL4993403 0.83 AKR1C3 (0.47) GRIK1GRIK2KIF11FFAR1AKR1C3
SCHEMBL4983544 0.83 TDP1 (0.41) GRIK1GRIK2KIF11LMNAAKR1C3
SCHEMBL4988045 0.81 ACP3 (0.41) TAAR1KIF11AKR1C3AKR1C2CYP2C19
SCHEMBL4992187 0.81 GRIK1 (0.40) GRIK1GRIK2LMNAFFAR1AKR1C3

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 ACHE 1777/4885STAT3 3091/4885GRIK1 413/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ACHE 1015/4885STAT3 3469/4885GRIK1 304/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ACHE 1462/4885STAT3 3481/4885GRIK1 415/4885

“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.