SCHEMBL4714481

SCHEMBL4714481

CCCC(C(=O)OC(C)(C)C)N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
SLC6A3 Q01959 14/20 0.35
SLC6A2 P23975 11/20 0.35
SLC6A4 P31645 9/20 0.35
OPRD1 P41143 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL17927811 0.84 SIGMAR1 (0.35) SIGMAR1OPRD1CTSK
SCHEMBL28871595 0.82 SIGMAR1 (0.36) SIGMAR1OPRD1
Hydrochloric Acid SCHEMBL7421187 0.81 SIGMAR1 (0.44) SIGMAR1SLC6A3SLC6A2SLC6A4
SCHEMBL17155369 0.79 SIGMAR1 (0.39) SIGMAR1
SCHEMBL19809809 0.78 SLC6A3 (0.33) SIGMAR1SLC6A3SLC6A2SLC6A4
SCHEMBL12156555 0.78 SLC6A3 (0.33) SIGMAR1SLC6A3SLC6A2SLC6A4
SCHEMBL1673088 0.78 SLC6A3 (0.33) SIGMAR1SLC6A3SLC6A2SLC6A4
SCHEMBL19809807 0.78 SLC6A3 (0.33) SIGMAR1SLC6A3SLC6A2SLC6A4
SCHEMBL29004649 0.77 SIGMAR1 (0.48) SIGMAR1SLC6A3SLC6A2SLC6A4
SCHEMBL28871599 0.77 SIGMAR1 (0.35) SIGMAR1

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
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
US-6849622-B2 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-02-01 US disclosed
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound TANABE SEIYAKU CO., LTD. 2004-11-18 US disclosed
US-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2004-04-01 US disclosed
EP-1325910-A1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 EP 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 (2 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-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A, CYP11B1 SIGMAR1 158/4885SLC6A3 3056/4885SLC6A2 1541/4885
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1, CYP11B2 SIGMAR1 118/4885SLC6A3 3035/4885SLC6A2 1534/4885

“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.