SCHEMBL5715044

SCHEMBL5715044

Cc1ccnc(CCc2ccc(OC(=O)N3CCN(CCc4cn(C)cn4)CC3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR2A P28223 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
HTR7 P34969 1/20 0.36
OPRM1 P35372 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL5714353 0.93 TP53 (0.40) THRBTP53LMNAPOLBRXFP1
SCHEMBL6102531 0.87 TP53 (0.52) THRBTP53LMNA
SCHEMBL5714893 0.86 AOC3 (0.42) THRBTP53POLBCYP1A2CYP2C9
SCHEMBL5715379 0.86 AOC3 (0.42) THRBTP53LMNAPOLBRXFP1
SCHEMBL5715516 0.85 THRB (0.39) THRBTP53LMNAPOLBRXFP1
SCHEMBL5715224 0.85 TP53 (0.42) THRBTP53LMNAPOLBHRH2
SCHEMBL6102862 0.84 THRB (0.38) THRBTP53LMNAPOLBRXFP1
SCHEMBL5716500 0.84 HTR2A (0.38) THRBTP53LMNAPOLBCYP2C19
SCHEMBL6100974 0.83 CYP3A4 (0.44) THRBTP53POLBRXFP1HTR2A
SCHEMBL6101400 0.83 KDM4E (0.44) THRBPOLBRXFP1HRH2HRH1

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 598/4885TP53 2326/4885LMNA 1939/4885

“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.