SCHEMBL1014461

SCHEMBL1014461

COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
PDE4B Q07343 3/20 0.45
TACR1 P25103 2/20 0.41
NAMPT P43490 1/20 0.40
ADAM17 P78536 2/20 0.39
ATM Q13315 1/20 0.38
SLC18A2 Q05940 1/20 0.38
NQO2 P16083 1/20 0.38
KMT2A Q03164 1/20 0.38
BACE1 P56817 1/20 0.37
KDM4E B2RXH2 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL1013663 0.90 ACHE (0.44) ACHETACR1NAMPTADAM17SLC18A2
SCHEMBL1013868 0.83 PDE4B (0.49) PDE4BTACR1NAMPTKDM4E
SCHEMBL1011925 0.82 PDE4B (0.47) PDE4BTACR1NAMPTADAM17
SCHEMBL23951471 0.76 PDE4B (0.51) PDE4BTACR1NAMPTKDM4E
SCHEMBL8576705 0.75 ACHE (0.52) ACHEKMT2ABACE1KDM4EAPOBEC3A
SCHEMBL1013428 0.74 PDE4B (0.45) ACHEPDE4BTACR1NAMPTADAM17
SCHEMBL1013429 0.74 PDE4B (0.45) ACHEPDE4BTACR1NAMPTADAM17
SCHEMBL1014547 0.74 PDE4B (0.45) ACHEPDE4BTACR1NAMPTADAM17
SCHEMBL2934939 0.73 PPARG (0.47) TACR1NAMPTKMT2A
SCHEMBL8263544 0.73 PPARG (0.47) TACR1NAMPTKMT2A

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
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
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US 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
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 ACHE 254/4885PDE4B 3578/4885TACR1 2139/4885

“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.