SCHEMBL4989588

SCHEMBL4989588

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
NFKB1 P19838 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
CXCL8 P10145 2/20 0.39
ITGAV P06756 2/20 0.38
TSHR P16473 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
CACNA1G O43497 1/20 0.35
CACNA2D1 P54289 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
SCHEMBL4992396 0.88 NISCH (0.44) MEN1KMT2AGRIK1GRIK2CXCL8
SCHEMBL4983483 0.87 KDM4E (0.34) CYP1A2CYP3A4LMNAMEN1KMT2A
SCHEMBL4989962 0.86 PNMT (0.44) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL4983560 0.84 GRIK1 (0.42) LMNAGRIK1GRIK2CXCL8ITGAV
SCHEMBL4987148 0.83 MEN1 (0.43) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL4993918 0.80 GRN (0.34) ALDH1A1GRIK1GRIK2
SCHEMBL4981520 0.79 KDM4E (0.35) LMNAGRIK1GRIK2ITGAV
SCHEMBL4994105 0.78 TSHR (0.38) CYP1A2CYP3A4LMNAKMT2ATSHR
SCHEMBL4993588 0.78 LMNA (0.35) CYP1A2CYP3A4CYP2D6LMNAITGAV
SCHEMBL4987733 0.78 KDM4E (0.31) LMNAGRIK1GRIK2

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 PNMT 2239/4885CYP1A2 1487/4885CYP3A4 2830/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PNMT 1531/4885CYP1A2 1628/4885CYP3A4 3250/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PNMT 2122/4885CYP1A2 1464/4885CYP3A4 2857/4885

“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.