SCHEMBL4985296

SCHEMBL4985296

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
YARS1 P54577 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
SELL P14151 1/20 0.35
SELP P16109 1/20 0.35
GRM1 Q13255 2/20 0.33
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
BLM P54132 2/20 0.33
PMP22 Q01453 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
THPO P40225 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
SCHEMBL4989616 0.87 BCHE (0.35) KDM4ETDP1BLMLMNATSHR
SCHEMBL4989369 0.85 ADRB2 (0.38) ADRB2ADRA2AADRA2BADRA2CYARS1
SCHEMBL4989392 0.84 KDM4E (0.33) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL27665229 0.82 YARS1 (0.43) YARS1SELLSELPGRM1KDM4E
SCHEMBL4990851 0.82 TYR (0.41) TSHRALDH1A1MEN1KMT2A
SCHEMBL4984135 0.82 MEN1 (0.37) ADRB2ADRA2AADRA2BADRA2CKDM4E
SCHEMBL4986423 0.81 TSHR (0.41) KDM4ETSHRPOLBALDH1A1HPGD
SCHEMBL4989718 0.80 ADRA2A (0.36) ADRB2ADRA2AADRA2BADRA2CYARS1
SCHEMBL4985895 0.79 GRM1 (0.30) GRM1
SCHEMBL4986133 0.78 LMNA (0.44) LMNATSHRMAPK1HIF1AALDH1A1

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 ADRB2 64/4885ADRA2A 20/4885ADRA2B 61/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ADRB2 43/4885ADRA2A 20/4885ADRA2B 65/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ADRB2 60/4885ADRA2A 11/4885ADRA2B 57/4885

“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.