SCHEMBL4989209

SCHEMBL4989209

Cc1ccccc1C(C)C(C)CC(CN)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.38
ANPEP P15144 2/20 0.36
RNPEP Q9H4A4 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
ACP3 P15309 1/20 0.36
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MYC P01106 1/20 0.34
PPARG P37231 1/20 0.34
ROCK2 O75116 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
ERAP2 Q6P179 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
SCHEMBL4987259 0.89 CYP1A2 (0.33) ANPEPRNPEPDNPEPCYP1A2ALDH1A1
SCHEMBL4986423 0.85 TSHR (0.41) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4985210 0.85 NR3C2 (0.40) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4990074 0.84 NISCH (0.42) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4990822 0.84 GAA (0.38) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4991432 0.84 SCN4A (0.34) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4992940 0.83 ALDH1A1 (0.38) CYP1A2ALDH1A1GRIK1GRIK2KDM4E
SCHEMBL4990987 0.83 KMT2A (0.44) GRIK1GRIK2POLB
SCHEMBL4989183 0.83 ALDH1A1 (0.40) ALDH1A1GRIK1GRIK2POLB
SCHEMBL27665847 0.82 SLC1A3 (0.44) MMESLC1A3SLC1A2SLC1A1GRM2

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 MME 2393/4885ANPEP 750/4885RNPEP 1730/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A MME 2286/4885ANPEP 691/4885RNPEP 1513/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A MME 2084/4885ANPEP 644/4885RNPEP 1486/4885

“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.