SCHEMBL4984052

SCHEMBL4984052

CC(CCCc1c(Cl)c(Cl)cc(Cl)c1Cl)CC(CN)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.35
SIRT1 Q96EB6 1/20 0.33
GRIK1 P39086 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
EGFR P00533 1/20 0.32
ESR1 P03372 1/20 0.32
ERBB2 P04626 1/20 0.32
CYP1A2 P05177 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
PGR P06401 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL4989633 0.92 GRIK1 (0.32) HIF1AGRIK1
SCHEMBL4986622 0.89 GRIK1 (0.33) GRIK1BLM
SCHEMBL4990946 0.88 GRIK1 (0.35) GRIK1LMNASMN1; SMN2
SCHEMBL4992149 0.87 GRIK1 (0.33) GRIK1LMNASMN1; SMN2
SCHEMBL4990076 0.85 GRIK1 (0.32) HIF1AGRIK1LMNACYP1A2CHRM1
SCHEMBL4989381 0.85 GRIK1 (0.32) GRIK1
SCHEMBL4986615 0.84 TAAR1 (0.39) HIF1AGRIK1LMNAMEN1POLB
SCHEMBL4986509 0.84 ACLY (0.34) GRIK1SLC6A2SLC6A4
SCHEMBL4987929 0.83 HIF1A (0.35) HIF1ASIRT1GRIK1LMNASMN1; SMN2
SCHEMBL4983480 0.81 SLC28A3 (0.36) GRIK1NPC1CYP3A4HPGDACHE

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 HIF1A 622/4885SIRT1 4691/4885GRIK1 413/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A HIF1A 702/4885SIRT1 4639/4885GRIK1 304/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A HIF1A 714/4885SIRT1 4743/4885GRIK1 415/4885

“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.