SCHEMBL1014547

SCHEMBL1014547

COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1/C=C/c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.45
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
NAMPT P43490 1/20 0.38
BACE1 P56817 1/20 0.37
TACR1 P25103 1/20 0.37
ACHE P22303 1/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ADAM17 P78536 2/20 0.36
USP30 Q70CQ3 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
SCHEMBL1013428 1.00 PDE4B (0.45) PDE4BMTNR1AMTNR1BNAMPTBACE1
SCHEMBL1013429 1.00 PDE4B (0.45) PDE4BMTNR1AMTNR1BNAMPTBACE1
SCHEMBL1014009 0.83 PDE4B (0.49) PDE4BNAMPTTACR1NPC1SMN1; SMN2
SCHEMBL4762175 0.83 PDE4B (0.49) PDE4BNAMPTTACR1NPC1SMN1; SMN2
SCHEMBL1014011 0.83 PDE4B (0.49) PDE4BNAMPTTACR1NPC1SMN1; SMN2
SCHEMBL1014994 0.83 PDE4B (0.49) PDE4BNAMPTTACR1NPC1SMN1; SMN2
SCHEMBL4762180 0.83 PDE4B (0.49) PDE4BNAMPTTACR1NPC1SMN1; SMN2
SCHEMBL1011857 0.82 PDE4B (0.47) PDE4BNAMPTTACR1ADAM17USP30
SCHEMBL1013873 0.82 PDE4B (0.47) PDE4BNAMPTTACR1ADAM17USP30
SCHEMBL1011858 0.82 PDE4B (0.47) PDE4BNAMPTTACR1ADAM17USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272858-A2 HCV inhibitors comprising beta amino acids and their uses Novartis AG (CH) 2011-01-12 EP disclosed
EP-2007787-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES Novartis AG (CH) 2008-12-31 EP disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 PDE4B 3578/4885MTNR1A 1142/4885MTNR1B 885/4885

“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.