SCHEMBL4986381

SCHEMBL4986381

CCC(CCCc1ccc(C)c(C)c1)CC(CN)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
MMP2 P08253 3/20 0.35
MMP3 P08254 2/20 0.35
MMP1 P03956 1/20 0.35
SKP2 Q13309 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
MME P08473 1/20 0.33

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
SCHEMBL4990866 0.93 SMN1; SMN2 (0.39) GRIK1SMN1; SMN2MMP2MMP3MMP1
SCHEMBL4983416 0.86 GRIK1 (0.44) GRIK1
SCHEMBL4986342 0.85 ALOX15 (0.43) GRIK1
SCHEMBL4994158 0.85 GRIK1 (0.40) GRIK1MMP2MMP3MMP1GRIN2D
SCHEMBL4990707 0.85 SMN1; SMN2 (0.40) SMN1; SMN2
SCHEMBL4986369 0.84 GRIK1 (0.38) GRIK1MMP2MMP3GRIN2DGRIN2A
SCHEMBL4983574 0.84 GRIK1 (0.43) GRIK1SMN1; SMN2
SCHEMBL4990589 0.84 PNMT (0.40) GRIK1
SCHEMBL4992818 0.84 GRIK1 (0.44) GRIK1
SCHEMBL4989306 0.84 ANPEP (0.40) GRIK1MMP2

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 413/4885SMN1; SMN2 1368/4885MMP2 4647/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GRIK1 304/4885SMN1; SMN2 1347/4885MMP2 4713/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GRIK1 415/4885SMN1; SMN2 1393/4885MMP2 4616/4885

“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.