SCHEMBL4989768

SCHEMBL4989768

COc1cc(OC)c(CC(C)CC(CN)C(=O)O)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
LDHA P00338 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
PTGS2 P35354 1/20 0.35
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34

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
SCHEMBL4993427 0.87 CYP3A4 (0.38) PTPN1ADRA2AADRA1A
SCHEMBL4991229 0.85 PPARA (0.41) PTPN1
SCHEMBL4987052 0.85 KMT2A (0.41) LDHAGRIK1GRIK2
SCHEMBL4984770 0.85 USP2 (0.37) PTPN1
SCHEMBL4989842 0.85 CYP1A2 (0.48)
SCHEMBL4983787 0.83 LDHA (0.40) LDHAPTGS2
SCHEMBL4994145 0.83 CYP1A2 (0.44) ADRA2AADRA1A
SCHEMBL4991822 0.82 PTGS2 (0.39) PTGS2
SCHEMBL4992642 0.81 USP2 (0.39) PTPN1ADRA2AADRA1AGRIK1GRIK2
SCHEMBL4985976 0.81 HTR2A (0.55) ADRA2AADRA1A

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 PTPN1 4508/4885LDHA 1974/4885ADRA2A 20/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PTPN1 4620/4885LDHA 1818/4885ADRA2A 20/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PTPN1 4596/4885LDHA 1743/4885ADRA2A 11/4885

“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.