SCHEMBL5714843

SCHEMBL5714843

Cc1nc(CCN2CCN(C(=O)Oc3ccc(CCOc4ccncc4)cc3)CC2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 7/20 0.50
HRH1 P35367 7/20 0.50
THRB P10828 2/20 0.48
POLB P06746 2/20 0.46
DRD3 P35462 2/20 0.43
ADORA3 P0DMS8 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
OPRM1 P35372 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
KCNA5 P22460 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5714356 0.90 DRD2 (0.47) DRD3
SCHEMBL5714495 0.88 HRH2 (0.42) HRH2HRH1THRBPOLBDRD3
SCHEMBL5715135 0.87 DRD3 (0.43) HRH2HRH1THRBDRD3ADORA3
SCHEMBL5714720 0.85 THRB (0.49) HRH2HRH1THRBPOLBDRD3
SCHEMBL5714755 0.84 THRB (0.50) HRH2HRH1THRBPOLBDRD3
SCHEMBL5714323 0.84 THRB (0.52) HRH2HRH1THRBPOLBDRD3
SCHEMBL6102862 0.83 THRB (0.38) HRH2HRH1THRBPOLBALDH1A1
SCHEMBL5714891 0.83 THRB (0.51) HRH2HRH1THRBPOLBDRD3
SCHEMBL6100018 0.82 LMNA (0.40) HRH2HRH1THRBPOLBADORA3
SCHEMBL5714271 0.82 TP53 (0.51) HRH2HRH1THRBPOLBDRD3

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 HRH2 589/4885HRH1 602/4885THRB 598/4885

“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.