SCHEMBL5714488

SCHEMBL5714488

O=C(Oc1ccc(CSc2ncc[nH]2)cc1)N1CCN(CCc2nccs2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
USP2 O75604 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP2D6 P10635 1/20 0.40
THRB P10828 2/20 0.38
LTA4H P09960 1/20 0.38
HDAC1 Q13547 1/20 0.36
HRH2 P25021 4/20 0.36
HRH1 P35367 4/20 0.36
POLB P06746 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
SCHEMBL5715514 0.92 CYP3A4 (0.42) CYP3A4SMN1; SMN2USP2ALDH1A1TP53
SCHEMBL5714778 0.84 THRB (0.39) CYP3A4THRBHDAC1POLB
SCHEMBL5715033 0.84 CYP3A4 (0.41) CYP3A4SMN1; SMN2USP2ALDH1A1TP53
SCHEMBL6102049 0.84 THRB (0.41) ALDH1A1THRBHDAC1HRH2HRH1
SCHEMBL5714383 0.83 THRB (0.39) TP53THRBHDAC1HRH2HRH1
SCHEMBL5714756 0.83 TP53 (0.47) ALDH1A1TP53THRBHDAC1
SCHEMBL5715269 0.83 THRB (0.38) SMN1; SMN2ALDH1A1TP53THRBHDAC1
SCHEMBL5715029 0.82 SMN1; SMN2 (0.46) CYP3A4SMN1; SMN2USP2ALDH1A1TP53
SCHEMBL5714864 0.82 THRB (0.42) ALDH1A1THRBLTA4HHDAC1POLB
SCHEMBL5715036 0.82 THRB (0.40) TP53THRBHDAC1HRH2HRH1

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 CYP3A4 1537/4885SMN1; SMN2 3125/4885USP2 188/4885

“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.