SCHEMBL5714879

SCHEMBL5714879

O=C(Oc1ccc(CCOc2ccccn2)cc1)N1CCN(CCc2nccs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
USP2 O75604 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP2D6 P10635 1/20 0.45
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
DRD3 P35462 1/20 0.41
LTA4H P09960 1/20 0.41
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
SLC6A7 Q99884 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
SCHEMBL5715075 0.86 THRB (0.49) CYP3A4SMN1; SMN2USP2ALDH1A1TP53
SCHEMBL5713927 0.86 TP53 (0.52) ALDH1A1TP53ADORA3HTR2AHTR7
SCHEMBL5715661 0.85 CYP3A4 (0.50) CYP3A4SMN1; SMN2USP2ALDH1A1TP53
SCHEMBL5714869 0.85 CYP3A4 (0.48) CYP3A4SMN1; SMN2USP2ALDH1A1TP53
SCHEMBL5714331 0.85 DRD2 (0.48) CYP3A4SMN1; SMN2USP2ALDH1A1TP53
SCHEMBL5714553 0.83 HTR2A (0.44) TP53ADORA3HTR2AHTR7OPRM1
SCHEMBL5715114 0.83 ADORA3 (0.45) ALDH1A1ADORA3HTR2AHTR7OPRM1
SCHEMBL5715135 0.82 DRD3 (0.43) ALDH1A1TP53ADORA3HTR2AHTR7
SCHEMBL5714167 0.82 HTR2A (0.51) ALDH1A1TP53ADORA3HTR2AHTR7
SCHEMBL5714566 0.82 DRD3 (0.45) TP53ADORA3HTR2AHTR7OPRM1

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 CYP3A4 1537/4885SMN1; SMN2 3125/4885USP2 188/4885

“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.