SCHEMBL4990657

SCHEMBL4990657

CC(CCc1cc(F)ccc1F)CC(CN)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
DPP4 P27487 11/20 0.37
DPP9 Q86TI2 7/20 0.37
DPP7 Q9UHL4 6/20 0.36
RIPK1 Q13546 1/20 0.35
DPP8 Q6V1X1 3/20 0.35
ALDH1A1 P00352 1/20 0.34
MPO P05164 1/20 0.33
SLC6A4 P31645 1/20 0.33
AGBL2 Q5U5Z8 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
SCHEMBL4986989 0.93 DPP4 (0.35) GRIK1GRIK2DPP4DPP9DPP7
SCHEMBL4989692 0.90 MAOB (0.38) GRIK1GRIK2RIPK1SLC6A4
SCHEMBL4981480 0.87 DPP4 (0.43) DPP4DPP9DPP7RIPK1DPP8
SCHEMBL4990976 0.85 DPP4 (0.37) GRIK1GRIK2DPP4DPP9DPP7
SCHEMBL4989021 0.85 RIPK1 (0.36) DPP4DPP9DPP7RIPK1DPP8
SCHEMBL4993724 0.84 TAAR1 (0.44) GRIK1ALDH1A1
SCHEMBL4983969 0.84 DPP4 (0.42) GRIK1DPP4ALDH1A1
SCHEMBL4994386 0.83 CA2 (0.34) GRIK1GRIK2DPP4DPP9DPP7
SCHEMBL3998129 0.82 MAOB (0.36) GRIK1DPP9RIPK1MPOSLC6A4
SCHEMBL3992873 0.82 MAOB (0.36) GRIK1DPP9RIPK1MPOSLC6A4

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 201/4885DPP4 2680/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GRIK1 304/4885GRIK2 177/4885DPP4 3263/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GRIK1 415/4885GRIK2 196/4885DPP4 2672/4885

“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.