SCHEMBL5714720

SCHEMBL5714720

Cc1cccc(CCN2CCN(C(=O)Oc3ccc(CCOc4ccncc4)cc3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
HRH2 P25021 3/20 0.48
HRH1 P35367 3/20 0.48
POLB P06746 2/20 0.48
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 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL5714697 0.95 HRH2 (0.52) THRBHRH2HRH1POLBADORA3
SCHEMBL5714932 0.92 HRH2 (0.45) THRBHRH2HRH1POLBADORA3
SCHEMBL5714910 0.90 DRD2 (0.49) POLBDRD3
SCHEMBL5715305 0.88 POLB (0.43) THRBHRH2HRH1POLBADORA3
SCHEMBL5714181 0.88 TP53 (0.44) THRBPOLBADORA3HTR2AHTR7
SCHEMBL6102347 0.88 KCNH2 (0.43) THRBPOLBADORA3HTR2AHTR7
SCHEMBL5714271 0.87 TP53 (0.51) THRBHRH2HRH1POLBADORA3
SCHEMBL5714855 0.85 DRD2 (0.47) HRH2HRH1POLBADORA3HTR2A
SCHEMBL6103489 0.85 TP53 (0.52) THRB
SCHEMBL5714843 0.85 HRH2 (0.50) THRBHRH2HRH1POLBADORA3

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 598/4885HRH2 589/4885HRH1 602/4885

“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.