SCHEMBL4856827

SCHEMBL4856827

COC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](CCOc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.44
▸ TEAD1 P28347 1/20 0.44
▸ TEAD3 Q99594 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ CCR3 P51677 1/20 0.43
▸ GPR119 Q8TDV5 7/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ ABHD6 Q9BV23 1/20 0.41
▸ DAGLA Q9Y4D2 1/20 0.41
▸ NR1H2 P55055 2/20 0.41
▸ NR1H3 Q13133 2/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ USP30 Q70CQ3 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
SCHEMBL4856821 1.00 PDE4B (0.44) PDE4BTEAD1TEAD3PARP1CCR3
SCHEMBL6726496 0.95 TEAD1 (0.46) PDE4BTEAD1TEAD3PARP1GPR119
SCHEMBL4859279 0.90 TEAD1 (0.45) PDE4BTEAD1TEAD3PARP1CCR3
SCHEMBL4859274 0.90 TEAD1 (0.45) PDE4BTEAD1TEAD3PARP1CCR3
SCHEMBL4860080 0.88 PARP1 (0.58) TEAD1TEAD3PARP1ABHD6DAGLA
SCHEMBL4860072 0.88 PARP1 (0.58) TEAD1TEAD3PARP1ABHD6DAGLA
SCHEMBL13340759 0.88 PARP1 (0.58) TEAD1TEAD3PARP1ABHD6DAGLA
SCHEMBL8237158 0.86 TEAD1 (0.44) PDE4BTEAD1TEAD3GPR119HRH2
SCHEMBL13705115 0.84 PARP1 (0.53) PARP1GPR119HRH2HRH1HDAC1
SCHEMBL6726132 0.83 GPR119 (0.46) PARP1GPR119ABHD6DAGLANR1H2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405217-B2 N-aroyl piperazine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2008-07-29 — — US disclosed
US-20070167457-A1 N-AROYL PIPERAZINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC 2007-07-19 — — US disclosed
US-7166608-B2 N-aroyl piperazine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-23 — — US disclosed
US-20040242575-A1 N-aroyl piperazine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2004-12-02 — — US disclosed
EP-1434583-A1 N-AROYL PIPERAZINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-07-07 — — EP disclosed
WO-2003032991-A1 N-AROYL PIPERAZINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-04-24 — — 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 (2 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-20040242575-A1 N-aroyl piperazine derivatives as orexin receptor antagonists HCRTR2, HCRTR1, CNR1 PDE4B 4458/4885TEAD1 3666/4885TEAD3 3603/4885
US-20070167457-A1 N-AROYL PIPERAZINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 PDE4B 1616/4885TEAD1 3536/4885TEAD3 2396/4885

“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.

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