SCHEMBL4714459

SCHEMBL4714459

CC(C)(C)OC(=O)N[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
CYP2C19 P33261 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
CACNB4 O00305 1/20 0.42
CACNA1A O00555 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNG3 O60359 1/20 0.42
CACNA1F O60840 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNB3 P54284 1/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNG7 P62955 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNB1 Q02641 1/20 0.42
CACNG1 Q06432 1/20 0.42
CACNB2 Q08289 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
CACNA1E Q15878 1/20 0.42

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
SCHEMBL4714465 1.00 DRD2 (0.47) DRD2CYP2C19GPR119CACNB4CACNA1A
SCHEMBL1588467 0.84 GPR119 (0.45) CYP2C19GPR119DGAT1MEN1PABPC1
SCHEMBL31114636 0.83 EPHX2 (0.57) DRD2GPR119EPHX2KDM1AMAOB
SCHEMBL29773208 0.81 EPHX2 (0.61) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL29278594 0.81 EPHX2 (0.61) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL30114540 0.80 HSPB1 (0.51) CYP2C19MEN1PABPC1KMT2APOLB
SCHEMBL23207710 0.80 DPP4 (0.52) DRD2GPR119CACNB4CACNA1ACACNA1G
SCHEMBL21522521 0.80 DPP4 (0.52) DRD2GPR119CACNB4CACNA1ACACNA1G
SCHEMBL30962263 0.80 HDAC8 (0.48) DRD2CYP2C19KDM1AMAOBJAK1
SCHEMBL737107 0.80 GPR119 (0.64) GPR119

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 DRD2 1848/4885CYP2C19 173/4885GPR119 1725/4885
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 DRD2 1399/4885CYP2C19 119/4885GPR119 1060/4885

“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.