SCHEMBL4716377

SCHEMBL4716377

CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCNCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.57
CHRNA3 P32297 1/20 0.57
CHRNA4 P43681 1/20 0.57
CHRNB3 Q05901 1/20 0.57
CHRNA6 Q15825 1/20 0.57
CTSK P43235 2/20 0.45
HPGD P15428 1/20 0.45
BTK Q06187 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
RECQL P46063 1/20 0.43
CYP2C9 P11712 1/20 0.41
HSD11B1 P28845 1/20 0.41
DRD2 P14416 4/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
EPHX1 P07099 1/20 0.40
KCNA3 P22001 1/20 0.40
DRD3 P35462 1/20 0.40
CKS1B P61024 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
SCHEMBL4716378 1.00 CHRNB2 (0.57) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22928829 0.87 HPGD (0.54) CTSKHPGDBTKCA1CA2
SCHEMBL4711280 0.84 CTSK (0.45) CTSKHPGDBTKCA1CA2
SCHEMBL4713398 0.84 HPGD (0.51) CTSKHPGDBTKCA1CA2
SCHEMBL4713400 0.84 HPGD (0.51) CTSKHPGDBTKCA1CA2
SCHEMBL2296901 0.84 RECQL (0.63) CTSKHPGDBTKCA1CA2
SCHEMBL4711278 0.84 CTSK (0.45) CTSKHPGDBTKCA1CA2
SCHEMBL1226780 0.84 RECQL (0.63) CTSKHPGDBTKCA1CA2
SCHEMBL29983871 0.82 BTK (0.58) CTSKHPGDBTKCA1CA2
SCHEMBL13613096 0.82 HSD11B1 (0.53) CTSKHPGDBTKCA1CA2

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 CHRNB2 4045/4885CHRNA3 2862/4885CHRNA4 3772/4885
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 CHRNB2 3909/4885CHRNA3 3009/4885CHRNA4 3605/4885

“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.