SCHEMBL4713398

SCHEMBL4713398

COC(=O)N1CCN(C(=O)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
RECQL P46063 1/20 0.49
EPHX1 P07099 1/20 0.46
CTSK P43235 2/20 0.45
BTK Q06187 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HSD11B1 P28845 3/20 0.44
CYP2C9 P11712 1/20 0.44
DRD2 P14416 4/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
DRD3 P35462 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 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
SCHEMBL4713400 1.00 HPGD (0.51) HPGDRECQLEPHX1CTSKBTK
SCHEMBL22928829 0.87 HPGD (0.54) HPGDRECQLEPHX1CTSKBTK
SCHEMBL28521207 0.86 EPHX1 (0.60) EPHX1CTSKBTKCA1CA2
SCHEMBL2401387 0.84 HRH3 (0.52) HPGDRECQLEPHX1CTSKBTK
SCHEMBL2400286 0.84 HRH3 (0.52) HPGDRECQLEPHX1CTSKBTK
SCHEMBL2400288 0.84 HRH3 (0.52) HPGDRECQLEPHX1CTSKBTK
SCHEMBL23689559 0.84 EPHX1 (0.46) EPHX1CTSKBTKCA1CA2
SCHEMBL4716377 0.84 CHRNB2 (0.57) HPGDRECQLEPHX1CTSKBTK
SCHEMBL2296901 0.84 RECQL (0.63) HPGDRECQLCTSKBTKCA1
SCHEMBL4716378 0.84 CHRNB2 (0.57) HPGDRECQLEPHX1CTSKBTK

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 7 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
CN-1280269-C Aliphatic nitrogenous five-membered ring compound TANABE SEIYAKU CO (JP) 2006-10-18 CN 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 HPGD 830/4885RECQL 1433/4885EPHX1 3023/4885
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 HPGD 813/4885RECQL 1704/4885EPHX1 2726/4885

“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.