SCHEMBL3208730

SCHEMBL3208730

CC1CCC(NCc2ccccc2)CC1NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM1A O60341 2/20 0.51
MAOB P27338 1/20 0.51
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
FUCA1 P04066 1/20 0.42
ATM Q13315 1/20 0.42
DRD2 P14416 2/20 0.41
KCNA3 P22001 1/20 0.41
EPHX2 P34913 1/20 0.40
CTSK P43235 1/20 0.40
BTK Q06187 1/20 0.40
MAPK8 P45983 1/20 0.39
AKT1 P31749 2/20 0.39
FYN P06241 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
SCHEMBL4266535 0.85 KMT2A (0.58) KMT2AL3MBTL1KDM1AMAOBCA12
SCHEMBL5694937 0.85 KMT2A (0.58) KMT2AL3MBTL1KDM1AMAOBCA12
SCHEMBL4266530 0.85 KMT2A (0.58) KMT2AL3MBTL1KDM1AMAOBCA12
SCHEMBL22546524 0.83 KMT2A (0.61) KMT2AL3MBTL1KDM1AMAOBCA12
SCHEMBL19569128 0.82 KMT2A (0.61) KMT2AL3MBTL1KDM1AMAOBCA12
SCHEMBL25694331 0.81 KMT2A (0.51) KMT2AL3MBTL1KDM1AMAOBCA12
SCHEMBL23153407 0.81 KMT2A (0.53) KMT2AL3MBTL1KDM1AMAOBCA12
SCHEMBL19569627 0.81 KMT2A (0.62) KMT2AL3MBTL1KDM1AMAOBCA12
SCHEMBL29761166 0.81 KMT2A (0.56) KMT2AL3MBTL1KDM1AMAOBCA12
SCHEMBL765249 0.81 KMT2A (0.53) KMT2AL3MBTL1KDM1AMAOBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666869-B2 to provide an aliphatic nitrogen-containing 5-membered ring compound represented by the formula [I]:** Image-1wherein symbols in the formula have the following meanings;A: CH2 or S , antidiabetic agents MITSUBISHI TANABE PHARMA CORP. (JP) 2010-02-23 US disclosed
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP disclosed
EP-1323710-B1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-10 EP disclosed
US-20080153821-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2008-06-26 US disclosed
US-7332487-B2 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2008-02-19 US disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
US-7138397-B2 Nitrogenous 5-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2006-11-21 US disclosed
US-20060241146-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2006-10-26 US disclosed
US-20050054678-A1 Nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-03-10 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
EP-1323710-A1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS Tanabe Seiyaku Co., Ltd. (JP) 2003-07-02 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 (5 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 KMT2A 3485/4885L3MBTL1 4855/4885KDM1A 2255/4885
US-20060241146-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 KMT2A 1249/4885L3MBTL1 3844/4885KDM1A 1627/4885
US-20050054678-A1 Nitrogenous five-membered ring compounds ALK, NPR1, SCO2 KMT2A 1377/4885L3MBTL1 3843/4885KDM1A 1787/4885
US-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 KMT2A 1395/4885L3MBTL1 3885/4885KDM1A 1615/4885
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 KMT2A 2980/4885L3MBTL1 4834/4885KDM1A 1946/4885

“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.