SCHEMBL1014994

SCHEMBL1014994

COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1/C=C\c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.49
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAMPT P43490 1/20 0.42
USP30 Q70CQ3 1/20 0.41
RORC P51449 1/20 0.41
TACR1 P25103 2/20 0.41
GPR119 Q8TDV5 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC1 Q13547 1/20 0.39
ADAM17 P78536 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
SCHEMBL4762175 1.00 PDE4B (0.49) PDE4BNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL1014011 1.00 PDE4B (0.49) PDE4BNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL4762180 1.00 PDE4B (0.49) PDE4BNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL1014009 1.00 PDE4B (0.49) PDE4BNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL1011858 0.87 PDE4B (0.47) PDE4BNAMPTUSP30TACR1HDAC1
SCHEMBL1013873 0.87 PDE4B (0.47) PDE4BNAMPTUSP30TACR1HDAC1
SCHEMBL1011857 0.87 PDE4B (0.47) PDE4BNAMPTUSP30TACR1HDAC1
SCHEMBL4752713 0.83 RORC (0.44) NAMPTUSP30RORCGPR119KDM4E
SCHEMBL2677957 0.83 RORC (0.44) NAMPTUSP30RORCGPR119KDM4E
SCHEMBL1573672 0.83 RORC (0.44) NAMPTUSP30RORCGPR119KDM4E

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 3578/4885NPC1 177/4885RAB9A 4474/4885

“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.