SCHEMBL5714784

SCHEMBL5714784

O=C(Oc1ccc(CCSc2ccccn2)cc1)N1CCN(Cc2cccnc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MGLL Q99685 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
TRPV6 Q9H1D0 1/20 0.43
USP2 O75604 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL5715421 0.92 DRD2 (0.43) KDM4EALDH1A1POLB
SCHEMBL5714868 0.90 KDM4E (0.50) KDM4EALDH1A1MGLL
SCHEMBL5715139 0.89 ALDH1A1 (0.44) KDM4EALDH1A1MGLLCYP3A4CYP1A2
SCHEMBL5714478 0.87 KDM4E (0.53) KDM4EALDH1A1MGLLMAPK1
SCHEMBL5714440 0.87 ALDH1A1 (0.48) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL5715010 0.85 ALDH1A1 (0.44) KDM4EALDH1A1MGLLCYP3A4CYP1A2
SCHEMBL5714794 0.85 KDM4E (0.48) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL5715063 0.84 KDM4E (0.47) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL5714851 0.84 KDM4E (0.48) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL5715320 0.83 KDM4E (0.51) KDM4EALDH1A1TDP1LMNAPOLB

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 KDM4E 1090/4885ALDH1A1 1504/4885TDP1 2210/4885

“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.