SCHEMBL5715427

SCHEMBL5715427

O=C(O)c1ccc(CCCN2CCN(C(=O)Oc3ccc(CCSc4ncc[nH]4)cc3)CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2A Q12879 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
HTR2A P28223 2/20 0.40
OPRM1 P35372 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
HTR7 P34969 1/20 0.40
MGLL Q99685 1/20 0.38
DRD2 P14416 1/20 0.38
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
HRH1 P35367 3/20 0.36
HRH2 P25021 1/20 0.36
HTR1A P08908 1/20 0.35
DRD4 P21917 1/20 0.35
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL5714613 0.93 FAAH (0.38) FAAHGRIN2BGRIN2ASIGMAR1HTR2A
SCHEMBL5714821 0.91 MGLL (0.36) FAAHGRIN2BGRIN2AMGLLKDM4E
SCHEMBL5714881 0.90 SIGMAR1 (0.40) FAAHGRIN2BGRIN2ASIGMAR1HTR2A
SCHEMBL5714734 0.88 THRB (0.44) FAAHSIGMAR1HTR2AOPRM1ADORA3
SCHEMBL5715120 0.87 GRIN2B (0.45) FAAHGRIN2BGRIN2ASIGMAR1HTR2A
SCHEMBL5715133 0.85 SIGMAR1 (0.45) FAAHSIGMAR1HTR2AOPRM1ADORA3
SCHEMBL5715392 0.85 THRB (0.39) GRIN2BGRIN2ASIGMAR1HTR2AOPRM1
SCHEMBL5714001 0.84 TP53 (0.37) FAAHSIGMAR1HTR2AOPRM1ADORA3
SCHEMBL5714975 0.84 HRH3 (0.40) GRIN2BALDH1A1HRH3
SCHEMBL5714265 0.84 SIGMAR1 (0.42) FAAHSIGMAR1HTR2AOPRM1ADORA3

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 FAAH 219/4885GRIN2B 2596/4885GRIN2A 1942/4885

“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.