SCHEMBL4985155

SCHEMBL4985155

CC(CC(CN)C(=O)O)c1cc(Cl)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIK1 P39086 3/20 0.38
GRIK2 Q13002 3/20 0.38
ALDH1A1 P00352 3/20 0.37
TP53 P04637 2/20 0.37
MME P08473 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
GRIK3 Q13003 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
SCHEMBL4990499 0.89 LMNA (0.46) MEN1KMT2AALDH1A1TP53LMNA
SCHEMBL4992947 0.86 ALDH1A1 (0.38) MEN1CYP1A2CYP3A4KMT2AGRIK1
SCHEMBL4990909 0.84 MME (0.38) MEN1CYP1A2CYP3A4KMT2AGRIK1
SCHEMBL4993918 0.83 GRN (0.34) GRIK1GRIK2ALDH1A1MMEKDM4E
SCHEMBL4992396 0.82 NISCH (0.44) MEN1KMT2AGRIK1GRIK2
SCHEMBL4983483 0.81 KDM4E (0.34) MEN1CYP1A2CYP3A4KMT2AGRIK1
SCHEMBL4990037 0.79 GRN (0.37) CYP3A4GRIK1GRIK2ALDH1A1KDM4E
SCHEMBL4989822 0.79 GABBR2 (0.49) MEN1CYP1A2CYP3A4KMT2AGRIK1
SCHEMBL4987733 0.78 KDM4E (0.31) GRIK1GRIK2MMEKDM4ELMNA
SCHEMBL4987822 0.78 AKR1C3 (0.45) GRIK1GRIK2ALDH1A1LMNAHTT

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 4182/4885CYP1A2 1487/4885CYP3A4 2830/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A MEN1 4290/4885CYP1A2 1628/4885CYP3A4 3250/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A MEN1 4287/4885CYP1A2 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.