SCHEMBL5715313

SCHEMBL5715313

Cc1cccc(Cc2ccc(OC(=O)N3CCN(CCc4scnc4C)CC3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.42
HTR1A P08908 2/20 0.42
DRD2 P14416 1/20 0.42
HRH2 P25021 6/20 0.39
HRH1 P35367 6/20 0.39
TP53 P04637 1/20 0.39
GPR4 P46093 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
HTR7 P34969 1/20 0.37
OPRM1 P35372 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
LTA4H P09960 1/20 0.37
THRB P10828 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL6100888 0.93 HTR2A (0.42) HTR2AHTR1ADRD2HRH2HRH1
SCHEMBL5715420 0.89 TP53 (0.49) HTR2AHTR1ADRD2HRH2HRH1
SCHEMBL5713860 0.87 TP53 (0.42) TP53GPR4
SCHEMBL5715462 0.85 HTR2A (0.38) HTR2AHTR1ADRD2HRH2HRH1
SCHEMBL5715250 0.84 KDM4E (0.44) HRH2HRH1THRB
SCHEMBL5714137 0.84 TP53 (0.39) HTR2AHTR1ADRD2HRH2HRH1
SCHEMBL5715351 0.84 CYP3A4 (0.45) HTR2AHRH2HRH1TP53GPR4
SCHEMBL5714103 0.84 ALDH1A1 (0.39) HTR1ATP53HTR1DHTR1B
SCHEMBL5714956 0.84 TP53 (0.54) TP53THRB
SCHEMBL5714867 0.83 SIGMAR1 (0.44) HTR2ADRD2HRH2HRH1ADORA3

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 5 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

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 HTR2A 1618/4885HTR1A 2790/4885DRD2 3721/4885

“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.