SCHEMBL5714596

SCHEMBL5714596

Cc1cc(CCN2CCN(C(=O)Oc3ccc(CCOc4ccncc4)cc3)CC2)on1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.48
HRH2 P25021 7/20 0.48
HRH1 P35367 7/20 0.48
POLB P06746 2/20 0.46
DRD3 P35462 2/20 0.43
ADORA3 P0DMS8 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
OPRM1 P35372 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL5714863 0.90 DRD2 (0.48) POLBDRD3
SCHEMBL5714138 0.88 THRB (0.42) THRBHRH2HRH1POLBADORA3
SCHEMBL5715181 0.87 ADORA3 (0.42) POLBDRD3ADORA3HTR2AHTR7
SCHEMBL5715013 0.83 THRB (0.38) THRBPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL5715583 0.82 MAPT (0.46) THRBPOLBADORA3HTR2AHTR7
SCHEMBL5714880 0.81 THRB (0.38) THRBHRH2HRH1POLBADORA3
SCHEMBL5715466 0.81 MAPT (0.47) THRBPOLB
SCHEMBL5715016 0.81 TP53 (0.49) THRB
SCHEMBL5714340 0.81 TP53 (0.39) THRBPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL5713944 0.81 AOC3 (0.41) THRBADORA3HTR2AHTR7OPRM1

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 598/4885HRH2 589/4885HRH1 602/4885

“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.