SCHEMBL5714696

SCHEMBL5714696

Cc1ncsc1CCN1CCN(C(=O)Oc2ccc(CCSc3ccccn3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
HTR7 P34969 1/20 0.42
OPRM1 P35372 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
TP53 P04637 2/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
THRB P10828 2/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
POLB P06746 1/20 0.38
FAAH O00519 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL5715270 0.87 THRB (0.47) HTR2AADORA3HTR7OPRM1SIGMAR1
SCHEMBL5715447 0.86 SMN1; SMN2 (0.39) HTR2AADORA3HTR7OPRM1SIGMAR1
SCHEMBL5714553 0.85 HTR2A (0.44) HTR2AADORA3HTR7OPRM1SIGMAR1
SCHEMBL5715420 0.85 TP53 (0.49) HTR2AADORA3HTR7OPRM1SIGMAR1
SCHEMBL5714085 0.85 THRB (0.40) HTR2AADORA3HTR7OPRM1SIGMAR1
SCHEMBL5715288 0.84 TP53 (0.41) HTR2AADORA3HTR7OPRM1SIGMAR1
SCHEMBL5714920 0.84 TP53 (0.51) HTR2AADORA3HTR7OPRM1SIGMAR1
SCHEMBL5714869 0.83 CYP3A4 (0.48) HTR2AADORA3HTR7OPRM1SIGMAR1
SCHEMBL6103407 0.83 THRB (0.42) HTR2AADORA3HTR7OPRM1SIGMAR1
SCHEMBL5715124 0.82 TP53 (0.44) HTR2AADORA3HTR7OPRM1SIGMAR1

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 HTR2A 1618/4885ADORA3 3862/4885HTR7 1742/4885

“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.