SCHEMBL4986512

SCHEMBL4986512

CCC(CC(CN)C(=O)O)c1cc(Cl)c(Cl)c(Cl)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
MME P08473 4/20 0.33
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
PDE4A P27815 1/20 0.30
ADRA1A P35348 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 1/20 0.30
CPB2 Q96IY4 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
SCHEMBL4986518 0.88 GRIK1 (0.33) SLC1A3SLC1A2SLC1A1MMEGRIK1
SCHEMBL4986679 0.86 GRIK1 (0.33) SLC1A3SLC1A2SLC1A1MMEGRIK1
SCHEMBL4981583 0.84 SLC1A3 (0.33) SLC1A3SLC1A2SLC1A1MMEGRIK1
SCHEMBL27644730 0.83 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL4989038 0.83 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1MMEGRIK1
SCHEMBL4987733 0.83 KDM4E (0.31) SLC1A3SLC1A2MMEGRIK1GRIK2
SCHEMBL4994948 0.81 KDM4E (0.30) MME
SCHEMBL4990909 0.81 MME (0.38) MMEGRIK1GRIK2LMNACYP1A2
SCHEMBL4992273 0.80 LMNA (0.41) LMNA
SCHEMBL4987148 0.80 MEN1 (0.43) GRIK1GRIK2LMNACYP1A2

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 SLC1A3 118/4885SLC1A2 57/4885SLC1A1 106/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A SLC1A3 128/4885SLC1A2 42/4885SLC1A1 111/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A SLC1A3 104/4885SLC1A2 29/4885SLC1A1 91/4885

“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.