SCHEMBL5714686

SCHEMBL5714686

Cc1cccc(CCCN2CCN(C(=O)Oc3ccc(CCSc4ccccn4)cc3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.45
HTR2A P28223 2/20 0.45
OPRM1 P35372 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
HTR7 P34969 1/20 0.45
FAAH O00519 6/20 0.43
MGLL Q99685 2/20 0.42
HRH1 P35367 2/20 0.39
HRH2 P25021 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR1A P08908 1/20 0.38
DRD4 P21917 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
SCHEMBL5715124 0.95 TP53 (0.44) SIGMAR1HTR2AOPRM1ADORA3HTR7
SCHEMBL5715227 0.91 KDM4E (0.47) MGLLKDM4EALDH1A1
SCHEMBL5714411 0.90 SIGMAR1 (0.48) SIGMAR1HTR2AOPRM1ADORA3HTR7
SCHEMBL5714939 0.89 SIGMAR1 (0.46) SIGMAR1HTR2AOPRM1ADORA3HTR7
SCHEMBL5715363 0.87 SIGMAR1 (0.44) SIGMAR1HTR2AOPRM1ADORA3HTR7
SCHEMBL5714281 0.87 TP53 (0.46) SIGMAR1HTR2AOPRM1ADORA3HTR7
SCHEMBL5714995 0.87 SIGMAR1 (0.42) SIGMAR1HTR2AOPRM1ADORA3HTR7
SCHEMBL5715007 0.87 SIGMAR1 (0.45) SIGMAR1HTR2AOPRM1ADORA3HTR7
SCHEMBL5715166 0.86 SIGMAR1 (0.42) SIGMAR1HTR2AOPRM1ADORA3HTR7
SCHEMBL5714329 0.86 SIGMAR1 (0.48) SIGMAR1HTR2AOPRM1ADORA3HTR7

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 SIGMAR1 2726/4885HTR2A 1618/4885OPRM1 3563/4885

“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.