SCHEMBL4987148

SCHEMBL4987148

CCC(CC(CN)C(=O)O)c1cccc(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
PNMT P11086 1/20 0.41
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
CACNA2D1 P54289 4/20 0.36
CACNA1B Q00975 4/20 0.36
CACNB1 Q02641 4/20 0.36
CACNA1G O43497 1/20 0.36
TSHR P16473 1/20 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
SCHEMBL4984391 0.89 NISCH (0.42) MEN1KMT2AGRIK1GRIK2ALDH1A1
SCHEMBL4986679 0.88 GRIK1 (0.33) GRIK1GRIK2
SCHEMBL4981699 0.85 GRIK1 (0.43) CYP1A2CYP3A4CYP2D6NFKB1GRIK1
SCHEMBL4989588 0.83 PNMT (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4989962 0.81 PNMT (0.44) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4986518 0.81 GRIK1 (0.33) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4987349 0.81 GRIK1 (0.34) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4990909 0.80 MME (0.38) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4986512 0.80 SLC1A3 (0.33) CYP1A2GRIK1GRIK2LMNA
SCHEMBL4986372 0.80 BCHE (0.41) CYP1A2GRIK1GRIK2TSHR

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 MEN1 4182/4885KMT2A 1674/4885CYP1A2 1487/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A MEN1 4290/4885KMT2A 1763/4885CYP1A2 1628/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A MEN1 4287/4885KMT2A 1678/4885CYP1A2 1464/4885

“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.