SCHEMBL4991024

SCHEMBL4991024

CCC(CC(CN)C(=O)O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.38
SORT1 Q99523 2/20 0.38
APP P05067 2/20 0.37
GABBR2 O75899 3/20 0.36
GABBR1 Q9UBS5 3/20 0.36
LMNA P02545 2/20 0.36
CYP2C9 P11712 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
NFKB1 P19838 1/20 0.36
DRD3 P35462 1/20 0.36
BLM P54132 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
MME P08473 4/20 0.35

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
SCHEMBL4984419 0.86 MEN1 (0.43) LMNAMEN1KMT2ATSHRGRIK1
SCHEMBL4994829 0.85 GABBR2 (0.54) GABBR2GABBR1LMNACYP2C9MEN1
SCHEMBL4986118 0.85 GRIK1 (0.35) GRNSORT1GABBR2GABBR1LMNA
SCHEMBL4990974 0.84 AKR1C3 (0.43) LMNACYP2C9CYP1A2AKR1C3AKR1C2
SCHEMBL4986183 0.83 FOLH1 (0.37) GABBR2GABBR1LMNACYP2C9NFKB1
SCHEMBL4981794 0.82 AKR1C3 (0.35) LMNACYP2C9CYP1A2MMEAKR1B10
SCHEMBL4984318 0.81 GRN (0.43) GRNSORT1APPGABBR2GABBR1
SCHEMBL4991620 0.81 AKR1C3 (0.45) APPGABBR2GABBR1LMNACYP2C9
SCHEMBL4986518 0.80 GRIK1 (0.33) GRNSORT1GABBR2GABBR1LMNA
SCHEMBL4986341 0.79 AKR1C3 (0.43) MEN1KMT2AAKR1B10AKR1C4AKR1C3

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 GRN 4132/4885SORT1 3772/4885APP 385/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GRN 4117/4885SORT1 4003/4885APP 317/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GRN 4189/4885SORT1 3858/4885APP 392/4885

“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.