SCHEMBL4716347

SCHEMBL4716347

CN(C)c1ncc(C(=O)O)c(O[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.41
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ PIK3CD O00329 2/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ MERTK Q12866 1/20 0.39
▸ BTK Q06187 5/20 0.37
▸ JAK1 P23458 4/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ CACNB4 O00305 1/20 0.36
▸ CACNA1A O00555 1/20 0.36
▸ CACNA1G O43497 1/20 0.36
▸ CACNG3 O60359 1/20 0.36
▸ CACNA1F O60840 1/20 0.36
▸ CACNA1H O95180 1/20 0.36
▸ CACNB3 P54284 1/20 0.36
▸ CACNA2D1 P54289 1/20 0.36
▸ CACNG7 P62955 1/20 0.36

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
SCHEMBL4716352 1.00 HPGD (0.41) HPGDCKS1BSKP1SKP2PIK3CD
SCHEMBL4711783 0.88 PIK3CD (0.43) CKS1BSKP1SKP2PIK3CDMERTK
SCHEMBL4711781 0.88 PIK3CD (0.43) CKS1BSKP1SKP2PIK3CDMERTK
SCHEMBL4258023 0.75 BTK (0.48) CKS1BSKP1SKP2KDM1AMAOB
SCHEMBL4258019 0.75 BTK (0.48) CKS1BSKP1SKP2KDM1AMAOB
SCHEMBL4714437 0.75 KMT2A (0.45) HPGDPIK3CD
SCHEMBL4714436 0.75 KMT2A (0.45) HPGDPIK3CD
SCHEMBL23301590 0.73 BTK (0.45) CKS1BSKP1SKP2KDM1AMAOB
SCHEMBL24950101 0.73 BTK (0.45) CKS1BSKP1SKP2KDM1AMAOB
SCHEMBL30194545 0.73 BTK (0.45) CKS1BSKP1SKP2KDM1AMAOB

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 HPGD 830/4885CKS1B 2104/4885SKP1 1350/4885
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 813/4885CKS1B 2137/4885SKP1 1135/4885

“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.

Send feedback