SCHEMBL5714874

SCHEMBL5714874

CC1(C)CC(=O)N(CCc2ccc(OC(=O)N3CCN(CCCc4cccnc4)CC3)nc2)C(=O)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
HTR2A P28223 3/20 0.42
HTR1A P08908 3/20 0.42
DRD2 P14416 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
OPRM1 P35372 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
HTR7 P34969 1/20 0.41
PTAFR P25105 1/20 0.40
DRD4 P21917 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL5715300 0.96 HTR1A (0.40) KDM4EALDH1A1ALOX15HTR2AHTR1A
SCHEMBL5714582 0.93 KDM4E (0.43) KDM4EALDH1A1DRD2DRD4
SCHEMBL5714375 0.92 KDM4E (0.46) KDM4EALDH1A1ALOX15HTR2AHTR1A
SCHEMBL6103020 0.88 KDM4E (0.45) KDM4EALDH1A1ALOX15HTR2AHTR1A
SCHEMBL5714839 0.88 HTR2A (0.43) KDM4EALDH1A1HTR2AHTR1ADRD2
SCHEMBL5714453 0.87 THRB (0.41) KDM4EALDH1A1ALOX15HTR1ADRD2
SCHEMBL5715077 0.85 MGLL (0.39) KDM4EALDH1A1HTR2AHTR1ADRD2
SCHEMBL6102575 0.85 HTR1A (0.39) KDM4EALDH1A1ALOX15HTR1ADRD2
SCHEMBL5715167 0.85 HTR1A (0.38) HTR2AHTR1ADRD2SIGMAR1OPRM1
SCHEMBL5714391 0.84 HTR1A (0.38) HTR2AHTR1ADRD2SIGMAR1OPRM1

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 1504/4885ALOX15 580/4885

“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.