SCHEMBL5714780

SCHEMBL5714780

Cc1nc(CCN2CCN(C(=O)Oc3ccc(CCN4C(=O)CC(C)(C)CC4=O)cn3)CC2)cs1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR1A P08908 3/20 0.34
CYP4F2 P78329 1/20 0.34
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5715217 0.90 PKM (0.39) PKMKMT2AALDH1A1SMN1; SMN2HTR2A
SCHEMBL5714669 0.87 KMT2A (0.36) PKMKMT2AALDH1A1SMN1; SMN2CYP4F2
SCHEMBL5714647 0.86 HTR1A (0.36) HTR1ACYP4F2DRD2HTR2A
SCHEMBL5714952 0.86 HRH3 (0.36) HTR1ACYP4F2DRD2HTR2A
SCHEMBL5715294 0.85 HTR1A (0.38) HTR1ACYP4F2DRD2HTR2A
SCHEMBL5714515 0.84 TP53 (0.43) ALDH1A1HTR1ADRD2HTR2A
SCHEMBL5714101 0.84 HTR1A (0.35) HTR1ACYP4F2DRD2HTR2A
SCHEMBL5715533 0.84 HTR1A (0.35) KMT2AHTR1ACYP4F2DRD2HTR2A
SCHEMBL5714209 0.84 CYP3A4 (0.40) ALDH1A1SMN1; SMN2HTR1ACYP4F2DRD2
SCHEMBL5715300 0.82 HTR1A (0.40) ALDH1A1HTR1ADRD2HTR2A

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 PKM 2060/4885KMT2A 1677/4885ALDH1A1 1504/4885

“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.