SCHEMBL4986103

SCHEMBL4986103

CC(CCc1c(F)c(F)cc(F)c1F)CC(CN)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.32
ADRB2 P07550 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1A P35348 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
APEX1 P27695 1/20 0.30
RAD52 P43351 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30

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
SCHEMBL4990226 0.92 GRIK1 (0.33) GABRR1BLMCPB2MME
SCHEMBL4984214 0.92 TAAR1 (0.32) GABRR1TAAR1
SCHEMBL4986214 0.88 FOLH1 (0.35) GABRR1SLC1A3SLC1A2SLC1A1CPB2
SCHEMBL4993312 0.88 MME (0.32) GABRR1MME
SCHEMBL4988225 0.87 CPB2 (0.34) ADRA1ASLC1A3SLC1A2CPB2MME
SCHEMBL4989355 0.86 TAAR1 (0.37) GABRR1SLC1A3SLC1A2SLC1A1CPB2
SCHEMBL4983842 0.84 GRIK1 (0.32) TAAR1MME
SCHEMBL4987473 0.84 CPB2 (0.32) ADRA1ASLC1A3SLC1A2SLC1A1CPB2
SCHEMBL4992295 0.84 HDAC3 (0.33) GABRR1
SCHEMBL4988072 0.83 TAAR1 (0.34) L3MBTL1TAAR1

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 GABRR1 239/4885ADRB2 64/4885CYP3A4 2830/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GABRR1 229/4885ADRB2 43/4885CYP3A4 3250/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GABRR1 223/4885ADRB2 60/4885CYP3A4 2857/4885

“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.