SCHEMBL5715097

SCHEMBL5715097

O=C(Oc1ccc(CCOc2ccncc2)cc1)N1CCN(CCCc2ccccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.52
OPRM1 P35372 2/20 0.52
ADORA3 P0DMS8 1/20 0.52
HTR7 P34969 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
HRH1 P35367 4/20 0.50
HRH2 P25021 2/20 0.50
THRB P10828 2/20 0.48
HTR1A P08908 1/20 0.46
DRD4 P21917 1/20 0.46
POLB P06746 2/20 0.45
TP53 P04637 1/20 0.45
HRH3 Q9Y5N1 2/20 0.45
SLC6A7 Q99884 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL5714271 0.94 TP53 (0.51) HTR2AOPRM1ADORA3HTR7SIGMAR1
SCHEMBL5715082 0.90 DRD2 (0.48) HTR2AOPRM1ADORA3HTR7SIGMAR1
SCHEMBL5714167 0.90 HTR2A (0.51) HTR2AOPRM1ADORA3HTR7SIGMAR1
SCHEMBL5714731 0.89 ALDH1A1 (0.53) THRBSLC6A7
SCHEMBL5715301 0.88 HTR2A (0.48) HTR2AOPRM1ADORA3HTR7SIGMAR1
SCHEMBL5714697 0.87 HRH2 (0.52) HTR2AOPRM1ADORA3HTR7SIGMAR1
SCHEMBL5714964 0.86 HRH2 (0.52) HTR2AOPRM1ADORA3HTR7SIGMAR1
SCHEMBL5715014 0.86 TP53 (0.52) HTR2AOPRM1ADORA3HTR7SIGMAR1
SCHEMBL5715051 0.85 THRB (0.50) HTR2AOPRM1ADORA3HTR7SIGMAR1
SCHEMBL5714955 0.85 HTR2A (0.55) HTR2AOPRM1ADORA3HTR7SIGMAR1

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 HTR2A 1618/4885OPRM1 3563/4885ADORA3 3862/4885

“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.