SCHEMBL5714495

SCHEMBL5714495

Cc1nc(CCN2CCN(C(=O)Oc3ccc(CCSc4ccncc4)cc3)CC2)cs1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
THRB P10828 2/20 0.42
POLB P06746 2/20 0.40
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
OPRM1 P35372 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
DRD3 P35462 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5714843 0.88 HRH2 (0.50) HRH2HRH1THRBPOLBALDH1A1
SCHEMBL5714904 0.87 THRB (0.38) HRH2HRH1THRBPOLBALDH1A1
SCHEMBL5715288 0.86 TP53 (0.41) HRH2HRH1THRBALDH1A1LMNA
SCHEMBL5714485 0.86 NPC1 (0.38) HRH2HRH1THRBPOLBALDH1A1
SCHEMBL5715305 0.85 POLB (0.43) HRH2HRH1THRBPOLBALDH1A1
SCHEMBL5714793 0.83 THRB (0.44) HRH2HRH1THRBPOLBALDH1A1
SCHEMBL5715270 0.83 THRB (0.47) HRH2HRH1THRBPOLBALDH1A1
SCHEMBL5714378 0.82 THRB (0.45) HRH2HRH1THRBPOLBALDH1A1
SCHEMBL5714108 0.82 TP53 (0.48) THRBPOLBLMNAADORA3HTR2A
SCHEMBL5715805 0.81 THRB (0.43) HRH2HRH1THRBPOLBKMT2A

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.