SCHEMBL4990409

SCHEMBL4990409

CC(CCCc1cccc(Cl)c1Cl)CC(CN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
ADA P00813 1/20 0.40
PNMT P11086 1/20 0.40
GRIK1 P39086 3/20 0.38
GRIK2 Q13002 2/20 0.38
REN P00797 2/20 0.35
CTSG P08311 1/20 0.35
CMA1 P23946 1/20 0.35
PYGL P06737 1/20 0.35
PYGM P11217 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
IDO1 P14902 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL4991447 0.90 SLC6A2 (0.46) TAAR1PNMTGRIK1GRIK2SLC6A2
SCHEMBL4994051 0.89 GRIK1 (0.34) GRIK1GRIK2SLC6A2SLC6A4SLC6A3
SCHEMBL4986615 0.86 TAAR1 (0.39) TAAR1GRIK1GRIK2CYP3A4CYP2D6
SCHEMBL4993648 0.86 TAAR1 (0.41) TAAR1ADAPNMTGRIK1GRIK2
SCHEMBL4986509 0.85 ACLY (0.34) GRIK1SLC6A2SLC6A4SLC6A3
SCHEMBL4988117 0.85 PNMT (0.44) TAAR1ADAPNMTGRIK1GRIK2
SCHEMBL4989381 0.84 GRIK1 (0.32) GRIK1
SCHEMBL4989649 0.82 IAPP (0.44) GRIK1
SCHEMBL4990946 0.82 GRIK1 (0.35) GRIK1GRIK2SMN1; SMN2
SCHEMBL4984834 0.82 TAAR1 (0.42) TAAR1GRIK1SLC6A4

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 TAAR1 1437/4885ADA 2477/4885PNMT 2239/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A TAAR1 1172/4885ADA 2678/4885PNMT 1531/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A TAAR1 1489/4885ADA 2043/4885PNMT 2122/4885

“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.