SCHEMBL5714778

SCHEMBL5714778

O=C(Oc1ccc(CSc2ncc[nH]2)cc1)N1CCN(CCc2ccc[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.39
HDAC1 Q13547 1/20 0.39
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
GRIN2B Q13224 2/20 0.37
POLB P06746 1/20 0.36
GRIN2A Q12879 1/20 0.36
MGLL Q99685 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
OPRM1 P35372 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL5715723 0.92 GRIN2B (0.42) THRBDRD2DRD3GRIN2BPOLB
SCHEMBL5714756 0.86 TP53 (0.47) THRBHDAC1
SCHEMBL5714864 0.86 THRB (0.42) THRBHDAC1DRD2DRD3GRIN2B
SCHEMBL5714366 0.85 SMN1; SMN2 (0.46) THRBHDAC1DRD2DRD3POLB
SCHEMBL5714383 0.85 THRB (0.39) THRBHDAC1GRIN2BPOLBGRIN2A
SCHEMBL5714488 0.84 CYP3A4 (0.43) THRBHDAC1POLBCYP3A4
SCHEMBL6102799 0.84 THRB (0.39) THRBHDAC1POLBCYP3A4
SCHEMBL5714254 0.83 TP53 (0.42) THRBHDAC1GRIN2BGRIN2AMGLL
SCHEMBL5714369 0.83 TP53 (0.36) DRD2DRD3POLBADORA3HTR2A
SCHEMBL5715036 0.83 THRB (0.40) THRBHDAC1GRIN2BPOLBHTR2A

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 598/4885HDAC1 166/4885DRD2 3721/4885

“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.