SCHEMBL4990785

SCHEMBL4990785

CC(CCCc1cccc(F)c1F)CC(CN)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.36
POLB P06746 1/20 0.33
HMGB1 P09429 1/20 0.33
RIPK1 Q13546 1/20 0.33
CPA1 P15085 1/20 0.33
CPA2 P48052 1/20 0.33
CPA4 Q9UI42 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CPB2 Q96IY4 1/20 0.32
TACR3 P29371 2/20 0.32
TACR1 P25103 1/20 0.32
GRIN2B Q13224 1/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL4984598 0.93 HMGB1 (0.35) GRIK1POLBHMGB1RIPK1CPA1
SCHEMBL4001251 0.90 TAAR1 (0.41) GRIK1POLBMEN1GAAKMT2A
SCHEMBL4001255 0.90 TAAR1 (0.41) GRIK1POLBMEN1GAAKMT2A
SCHEMBL3992461 0.90 TAAR1 (0.41) GRIK1POLBMEN1GAAKMT2A
SCHEMBL4989224 0.89 GRIK1 (0.34) GRIK1RIPK1CPB2DPP4
SCHEMBL4986739 0.87 GRIK1 (0.35) GRIK1POLBRIPK1CPA1CPA2
SCHEMBL4993615 0.86 GRIK1 (0.38) GRIK1POLBCPB2
SCHEMBL4986465 0.85 DPP4 (0.38) RIPK1DPP4
SCHEMBL4987356 0.83 RIPK1 (0.35) GRIK1RIPK1CPB2DPP4
SCHEMBL4989649 0.82 IAPP (0.44) GRIK1HMGB1

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 413/4885POLB 2873/4885HMGB1 4418/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GRIK1 304/4885POLB 2711/4885HMGB1 3747/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GRIK1 415/4885POLB 2992/4885HMGB1 4399/4885

“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.