SCHEMBL4711151

SCHEMBL4711151

N[C@H]1CC[C@H](C(=O)N2Cc3ccc(CNC(=O)C4CC4)cc3C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.45
ERCC4 Q92889 2/20 0.45
ALDH1A1 P00352 4/20 0.45
HDAC1 Q13547 3/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
NAMPT P43490 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4711157 1.00 ERCC1 (0.45) ERCC1ERCC4ALDH1A1HDAC1HPGD
SCHEMBL4714009 0.84 NAMPT (0.51) ALDH1A1HDAC1NAMPT
SCHEMBL4714007 0.84 NAMPT (0.51) ALDH1A1HDAC1NAMPT
SCHEMBL14067249 0.83 ALDH1A1 (0.51) ERCC1ERCC4ALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL6803714 0.81 DPP8 (0.44) ALDH1A1HDAC1NAMPTNPC1PKM
SCHEMBL14626150 0.78 ERCC1 (0.49) ERCC1ERCC4ALDH1A1HPGDKDM4E
SCHEMBL4711149 0.76 ALDH1A1 (0.50) ERCC1ERCC4ALDH1A1HPGDKDM4E
SCHEMBL4713777 0.76 NAMPT (0.46) HPGDKDM4ENAMPTKMT2ANPC1
SCHEMBL4713772 0.76 NAMPT (0.46) HPGDKDM4ENAMPTKMT2ANPC1
SCHEMBL12101966 0.75 ERCC1 (0.51) ERCC1ERCC4ALDH1A1HPGDKDM4E

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 ERCC1 4246/4885ERCC4 4606/4885ALDH1A1 1113/4885
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 ERCC1 4289/4885ERCC4 4594/4885ALDH1A1 715/4885

“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.