SCHEMBL4989718

SCHEMBL4989718

CCC(CC(CN)C(=O)O)c1ccc(O)c(O)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
ADRB2 P07550 2/20 0.36
YARS1 P54577 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
GAA P10253 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
KDM4E B2RXH2 3/20 0.33
BLM P54132 2/20 0.33
PMP22 Q01453 2/20 0.33
RECQL P46063 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 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
SCHEMBL4986372 0.87 BCHE (0.41) GAASLC1A3SLC1A2SLC1A1KDM4E
SCHEMBL4988079 0.84 GAA (0.35) ADRA2AADRA2BADRA2CADRB2ADRA1A
SCHEMBL4989369 0.82 ADRB2 (0.38) ADRA2AADRA2BADRA2CADRB2YARS1
SCHEMBL27665464 0.82 YARS1 (0.43) YARS1SLC1A3SLC1A2SLC1A1KDM4E
SCHEMBL4983418 0.82 CA12 (0.37) ADRA2AADRA2BADRA2CADRB2GAA
SCHEMBL4987377 0.82 MEN1 (0.39) GAAHSD17B10TSHRALDH1A1BCHE
SCHEMBL4991102 0.81 TSHR (0.45) SLC1A3SLC1A2SLC1A1KDM4EHSD17B10
SCHEMBL4985296 0.80 ADRB2 (0.36) ADRA2AADRA2BADRA2CADRB2YARS1
SCHEMBL4991450 0.79 TDP1 (0.33) ADRA1AGAASLC1A3SLC1A2SLC1A1
SCHEMBL4986566 0.77 SLC1A3 (0.33) SLC1A3SLC1A2SLC1A1TDP1GRM1

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 8 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
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP 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
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO 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 ADRA2A 20/4885ADRA2B 61/4885ADRA2C 50/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ADRA2A 20/4885ADRA2B 65/4885ADRA2C 44/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ADRA2A 11/4885ADRA2B 57/4885ADRA2C 34/4885

“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.