SCHEMBL4992840

SCHEMBL4992840

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
ACHE P22303 1/20 0.38
ALOX5 P09917 1/20 0.38
LMNA P02545 1/20 0.36
FFAR1 O14842 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
STAT3 P40763 1/20 0.36
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
KIF11 P52732 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL4987716 0.88 TAAR1 (0.41) GRIK1GRIK2CYP2C19
SCHEMBL4992839 0.86 MME (0.44) GRIK1GRIK2FFAR1CYP2C19
SCHEMBL4991426 0.86 GABBR2 (0.46) GRIK1GRIK2LMNACYP2C19POLB
SCHEMBL4992324 0.84 PTGS2 (0.35) GRIK1GRIK2AKR1C3AKR1C2CYP2C19
SCHEMBL4992264 0.84 ACHE (0.47) GRIK1GRIK2ACHEALOX5LMNA
SCHEMBL4989886 0.84 GRIK1 (0.43) GRIK1GRIK2ALOX5FFAR1AKR1C3
SCHEMBL4992533 0.84 TDP1 (0.39) GRIK1GRIK2LMNAAKR1C3AKR1C2
SCHEMBL4986211 0.82 AKR1C3 (0.44) GRIK1GRIK2FFAR1AKR1C3AKR1C2
SCHEMBL4988188 0.82 ACP3 (0.39) AKR1C3AKR1C2GRM2GRM3KIF11
SCHEMBL4990883 0.81 AKR1C3 (0.47) LMNAAKR1C3AKR1C2CNR2

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 GRIK1 413/4885GRIK2 201/4885ACHE 1777/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GRIK1 304/4885GRIK2 177/4885ACHE 1015/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GRIK1 415/4885GRIK2 196/4885ACHE 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.