SCHEMBL5714801

SCHEMBL5714801

Cn1cnc(CCN2CCN(C(=O)Oc3ccc(CCOc4ccccn4)cc3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
OPRM1 P35372 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
TP53 P04637 4/20 0.43
DRD3 P35462 1/20 0.41
LMNA P02545 1/20 0.40
THRB P10828 3/20 0.39

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
SCHEMBL5713927 0.89 TP53 (0.52) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL5714938 0.86 TP53 (0.52) TP53LMNATHRB
SCHEMBL5714891 0.86 THRB (0.51) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL5715336 0.85 TP53 (0.42) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL5714181 0.85 TP53 (0.44) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL5715058 0.85 DRD2 (0.49) DRD3
SCHEMBL5715193 0.85 TP53 (0.44) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL5716006 0.85 DRD3 (0.43) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL5715135 0.83 DRD3 (0.43) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL5714167 0.83 HTR2A (0.51) ADORA3HTR2AHTR7OPRM1SIGMAR1

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 ADORA3 3862/4885HTR2A 1618/4885HTR7 1742/4885

“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.