SCHEMBL5714040

SCHEMBL5714040

Cn1ccnc1SCCc1ccc(OC(=O)N2CCN(CCCc3cccnc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
ADORA3 P0DMS8 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
OPRM1 P35372 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
FAAH O00519 6/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.41
PTAFR P25105 1/20 0.41
MGLL Q99685 2/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL5715606 0.95 THRB (0.42) SIGMAR1ADORA3HTR2AHTR7OPRM1
SCHEMBL5714687 0.93 SMN1; SMN2 (0.45) SIGMAR1ADORA3HTR2AHTR7OPRM1
SCHEMBL5714851 0.91 KDM4E (0.48) ALDH1A1KDM4E
SCHEMBL5714536 0.88 SMN1; SMN2 (0.46) SIGMAR1ADORA3HTR2AHTR7OPRM1
SCHEMBL5714178 0.86 SIGMAR1 (0.46) SIGMAR1ADORA3HTR2AHTR7OPRM1
SCHEMBL5714868 0.85 KDM4E (0.50) SIGMAR1ADORA3HTR2AHTR7OPRM1
SCHEMBL5715054 0.85 KDM4E (0.49) SIGMAR1ADORA3HTR2AHTR7OPRM1
SCHEMBL5715700 0.85 SIGMAR1 (0.41) SIGMAR1ADORA3HTR2AHTR7OPRM1
SCHEMBL5714995 0.84 SIGMAR1 (0.42) SIGMAR1ADORA3HTR2AHTR7OPRM1
SCHEMBL5714332 0.84 MAPT (0.38) ALDH1A1KDM4EMAPTKMT2AMGLL

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 SIGMAR1 2726/4885ADORA3 3862/4885HTR2A 1618/4885

“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.