SCHEMBL5715548

SCHEMBL5715548

O=C(O)c1ccc(CN2CCN(C(=O)Oc3ccc(CCOc4ccncc4)cc3)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
SLC6A7 Q99884 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
USP2 O75604 1/20 0.41
CYP2C19 P33261 1/20 0.41
LSS P48449 1/20 0.41
DRD3 P35462 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MGLL Q99685 1/20 0.39
GCK P35557 1/20 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
SCHEMBL5714677 0.90 DRD2 (0.47) CYP1A2CYP3A4CYP2C9SLC6A7ALDH1A1
SCHEMBL5715051 0.90 THRB (0.50) THRBHRH2HRH1DRD3
SCHEMBL5715104 0.88 CYP1A2 (0.41) THRBCYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL5714470 0.86 KDM4E (0.45) CYP1A2CYP3A4CYP2C9SLC6A7ALDH1A1
SCHEMBL5714100 0.85 THRB (0.45) THRBCYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL5715214 0.85 SLC6A7 (0.48) THRBCYP1A2CYP3A4CYP2C9SLC6A7
SCHEMBL5715204 0.85 THRB (0.44) THRBCYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL5714731 0.85 ALDH1A1 (0.53) THRBCYP1A2CYP3A4CYP2C9SLC6A7
SCHEMBL5715429 0.82 AOC3 (0.43) CYP1A2CYP2C9ALDH1A1CYP2C19KDM4E
SCHEMBL5714884 0.81 KDM4E (0.43) ALDH1A1KDM4EMAPTMGLL

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 THRB 598/4885CYP1A2 1070/4885CYP3A4 1537/4885

“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.