SCHEMBL5714864

SCHEMBL5714864

O=C(Oc1ccc(CSc2ncc[nH]2)cc1)N1CCN(CCc2cccnc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
DRD2 P14416 6/20 0.42
DRD3 P35462 5/20 0.42
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
ALOX15 P16050 1/20 0.39
HDAC1 Q13547 1/20 0.38
LTA4H P09960 1/20 0.38
HTR1A P08908 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL5714157 0.95 KDM4E (0.46) DRD2DRD3KDM4EALDH1A1ALOX15
SCHEMBL5714304 0.93 THRB (0.42) THRBDRD2DRD3KDM4EALDH1A1
SCHEMBL6102002 0.91 KDM4E (0.47) KDM4EALDH1A1POLB
SCHEMBL5715119 0.88 KDM4E (0.46) DRD2DRD3KDM4EALDH1A1ALOX15
SCHEMBL5714710 0.86 KDM4E (0.43) THRBDRD2DRD3KDM4EALDH1A1
SCHEMBL5714778 0.86 THRB (0.39) THRBDRD2DRD3POLBHDAC1
SCHEMBL5715063 0.85 KDM4E (0.47) KDM4EALDH1A1POLB
SCHEMBL5714756 0.85 TP53 (0.47) THRBKDM4EALDH1A1HDAC1
SCHEMBL5714541 0.85 DRD2 (0.40) THRBDRD2DRD3KDM4EALDH1A1
SCHEMBL5714383 0.83 THRB (0.39) THRBPOLBHDAC1GRIN2B

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 THRB 598/4885DRD2 3721/4885DRD3 3085/4885

“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.