SCHEMBL4989295

SCHEMBL4989295

CC(CCc1ccccc1)CCC(CN)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.47
TSHR P16473 1/20 0.46
LAP3 P28838 3/20 0.45
ERAP1 Q9NZ08 3/20 0.45
ERAP2 Q6P179 2/20 0.45
ANPEP P15144 2/20 0.45
CYP1A2 P05177 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL3995351 0.88 GRIK1 (0.50) GRIK1TSHRLAP3ERAP1ERAP2
SCHEMBL3994953 0.88 GRIK1 (0.50) GRIK1TSHRLAP3ERAP1ERAP2
SCHEMBL3994985 0.88 GRIK1 (0.50) GRIK1TSHRLAP3ERAP1ERAP2
SCHEMBL7390788 0.87 GRIK1 (0.54) GRIK1LAP3ERAP1ERAP2ANPEP
SCHEMBL4985838 0.86 CYP1A2 (0.55) ERAP2ANPEPCYP1A2
SCHEMBL4987458 0.85 TAAR1 (0.45) MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL4992653 0.83 PPARA (0.44) GRIK1MEN1KMT2A
SCHEMBL17317764 0.83 TAAR1 (0.50) CYP1A2
SCHEMBL4984177 0.82 GRIK1 (0.44) GRIK1TSHRLAP3ERAP1ERAP2
SCHEMBL4984410 0.82 TAAR1 (0.49) MEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP claimed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO claimed
WO-2013063269-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2013-05-02 WO disclosed
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 413/4885TSHR 2889/4885LAP3 2020/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GRIK1 304/4885TSHR 3360/4885LAP3 1747/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GRIK1 415/4885TSHR 3138/4885LAP3 1827/4885

“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.