SCHEMBL4009812

SCHEMBL4009812

CCCCC(C)CCC(NC(=O)CN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 13/20 0.48
▸ ACE2 Q9BYF1 1/20 0.47
▸ SLC6A5 Q9Y345 2/20 0.45
▸ HDAC2 Q92769 1/20 0.42
▸ CA2 P00918 1/20 0.40
▸ GNPAT O15228 1/20 0.39
▸ EPHX2 P34913 1/20 0.39

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
SCHEMBL5698138 1.00 NOD1 (0.48) NOD1ACE2SLC6A5HDAC2CA2
SCHEMBL4008880 0.90 NOD1 (0.43) NOD1ACE2SLC6A5HDAC2GNPAT
SCHEMBL5698087 0.90 NOD1 (0.43) NOD1ACE2SLC6A5HDAC2GNPAT
SCHEMBL7176520 0.89 NOD1 (0.58) NOD1SLC6A5HDAC2CA2GNPAT
SCHEMBL7176522 0.89 NOD1 (0.58) NOD1SLC6A5HDAC2CA2GNPAT
SCHEMBL4007723 0.85 NOD1 (0.41) NOD1SLC6A5GNPAT
SCHEMBL7175773 0.81 NOD1 (0.49) NOD1SLC6A5HDAC2GNPAT
SCHEMBL7175771 0.81 NOD1 (0.49) NOD1SLC6A5HDAC2GNPAT
SCHEMBL19586694 0.80 FOLH1 (0.42) NOD1SLC6A5GNPAT
SCHEMBL19586695 0.80 FOLH1 (0.42) NOD1SLC6A5GNPAT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491835-B2 Prodrugs of amino acids with affinity for the α2δ-protein PFIZER INC (US) 2009-02-17 — — US claimed
EP-1670750-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA- PROTEIN Warner-Lambert Company LLC (US) 2006-06-21 — — EP claimed
WO-2005030703-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE α2δ- PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 — — WO claimed
US-20050070483-A1 Prodrugs of amino acids with affinity for the alpha2delta-protein VIATRIS SPECIALTY LLC. 2005-03-31 — — US claimed
US-7491835-B2 Prodrugs of amino acids with affinity for the α2δ-protein PFIZER INC (US) 2009-02-17 — — US disclosed
EP-1670750-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA- PROTEIN Warner-Lambert Company LLC (US) 2006-06-21 — — EP disclosed
WO-2005030703-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE α2δ- PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 — — WO disclosed
US-20050070483-A1 Prodrugs of amino acids with affinity for the alpha2delta-protein VIATRIS SPECIALTY LLC. 2005-03-31 — — 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 (1 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-20050070483-A1 Prodrugs of amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A NOD1 3810/4885ACE2 660/4885SLC6A5 826/4885

“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.

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