SCHEMBL5714957

SCHEMBL5714957

CC1(C)CC(=O)N(c2ccc(OC(=O)N3CCN(Cc4ccncn4)CC3)nc2)C(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.34
GRM4 Q14833 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
LTA4H P09960 3/20 0.32
FAAH O00519 1/20 0.32
LMNA P02545 1/20 0.32
GFER P55789 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31

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
SCHEMBL5713903 0.88 ALDH1A1 (0.51) KDM4EALDH1A1LMNAGFER
SCHEMBL5713966 0.88 MGLL (0.41) KDM4EALDH1A1PKMCYP4F2LTA4H
SCHEMBL5715404 0.85 KDM4E (0.36) KDM4EALDH1A1CYP4F2FAAHDRD2
SCHEMBL5713912 0.85 HRH3 (0.38) KDM4EALDH1A1PKM
SCHEMBL6101307 0.84 KDM4E (0.44) KDM4EALDH1A1LMNAGFERDRD2
SCHEMBL5714886 0.83 EGLN1 (0.40) KDM4EALDH1A1PKMLMNA
SCHEMBL5715161 0.82 ALDH1A1 (0.37) KDM4EALDH1A1CYP3A4CYP2C9LMNA
SCHEMBL5714878 0.80 TP53 (0.44) KDM4EALDH1A1LMNA
SCHEMBL5649776 0.80 PKM (0.42) ALDH1A1PKMLMNA
SCHEMBL6102575 0.79 HTR1A (0.39) KDM4EALDH1A1CYP4F2DRD2

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
JP-2006527212-A 2006-11-30 JP claimed
US-20060160820-A1 Substituted piperazine carbamates NOVO NORDISK A/S (DK) 2006-07-20 US claimed
EP-1636187-A1 SUBSTITUTED PIPERAZINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2006-03-22 EP claimed
WO-2004111004-A1 SUBSTITUTED PIPERAZINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-12-23 WO claimed
US-20060160820-A1 Substituted piperazine carbamates NOVO NORDISK A/S (DK) 2006-07-20 US disclosed
EP-1636187-A1 SUBSTITUTED PIPERAZINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2006-03-22 EP disclosed
WO-2004111004-A1 SUBSTITUTED PIPERAZINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-12-23 WO 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 (1 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-20060160820-A1 Substituted piperazine carbamates LIPE, PNLIP, LPL KDM4E 1090/4885ALDH1A1 1504/4885PKM 2060/4885

“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.