SCHEMBL4986205

SCHEMBL4986205

CC(CCCc1cccc(O)c1)CC(CN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
GRIK1 P39086 1/20 0.46
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
OPRM1 P35372 4/20 0.43
OPRD1 P41143 4/20 0.43
OPRK1 P41145 4/20 0.43
HDAC6 Q9UBN7 1/20 0.42
ENPP2 Q13822 1/20 0.41
MGLL Q99685 1/20 0.40
GRIA2 P42262 1/20 0.39

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
SCHEMBL4994531 0.92 ANPEP (0.51) ANPEPERAP2ERAP1GRIK1DRD2
SCHEMBL4986950 0.89 GRIK1 (0.45) ANPEPERAP2ERAP1GRIK1TAAR1
SCHEMBL3996131 0.88 GRIK1 (0.58) ANPEPGRIK1HDAC6
SCHEMBL3998166 0.88 GRIK1 (0.58) ANPEPGRIK1HDAC6
SCHEMBL3998855 0.88 GRIK1 (0.58) ANPEPGRIK1HDAC6
SCHEMBL3997631 0.88 GRIK1 (0.44) GRIK1TAAR1
SCHEMBL3994149 0.88 GRIK1 (0.44) GRIK1TAAR1
SCHEMBL3999755 0.88 GRIK1 (0.44) GRIK1TAAR1
SCHEMBL4990196 0.88 HTR3E (0.45) GRIK1TAAR1
SCHEMBL4989853 0.87 GRIK1 (0.40) ANPEPERAP2ERAP1GRIK1

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 ANPEP 750/4885ERAP2 802/4885ERAP1 1331/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ANPEP 691/4885ERAP2 655/4885ERAP1 1085/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ANPEP 644/4885ERAP2 731/4885ERAP1 1300/4885

“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.