SCHEMBL5715262

SCHEMBL5715262

Cc1ccc(CCc2ccc(OC(=O)N3CCN(CCc4ccc(C)cn4)CC3)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.48
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
THRB P10828 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CYP2D6 P10635 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
OPRM1 P35372 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL5714786 0.94 SIGMAR1 (0.47) AOC3CYP1A2CYP2C9CYP2C19ADORA3
SCHEMBL5714431 0.93 TP53 (0.52) AOC3THRBTP53
SCHEMBL5714944 0.93 CYP1A2 (0.43) AOC3CYP1A2CYP2C9CYP2C19THRB
SCHEMBL5716253 0.92 AOC3 (0.44) AOC3CYP1A2CYP2C9CYP2C19THRB
SCHEMBL5714893 0.92 AOC3 (0.42) AOC3CYP1A2CYP2C9CYP2C19THRB
SCHEMBL5715379 0.92 AOC3 (0.42) AOC3CYP1A2CYP2C9CYP2C19THRB
SCHEMBL5714926 0.92 AOC3 (0.44) AOC3CYP2C19CYP2D6ADORA3HTR2A
SCHEMBL5713902 0.92 AOC3 (0.44) AOC3CYP2C19CYP2D6ADORA3HTR2A
SCHEMBL5714169 0.91 AOC3 (0.41) AOC3CYP1A2CYP2C9CYP2C19THRB
SCHEMBL5714888 0.90 KDM4E (0.47) AOC3THRBADORA3HTR2AHTR7

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 AOC3 1636/4885CYP1A2 1070/4885CYP2C9 2959/4885

“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.