SCHEMBL1013663

SCHEMBL1013663

CC(C)(C)OC(=O)N1C[C@H](CCc2cccc3ccccc23)[C@@H](C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44
TACR1 P25103 1/20 0.40
PPARG P37231 7/20 0.40
PPARA Q07869 7/20 0.40
ADAM17 P78536 1/20 0.40
SLC18A2 Q05940 1/20 0.40
NAMPT P43490 1/20 0.39
KMT2A Q03164 1/20 0.39
RORC P51449 1/20 0.39
S1PR5 Q9H228 2/20 0.38

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
SCHEMBL1014461 0.90 ACHE (0.45) ACHETACR1ADAM17SLC18A2NAMPT
SCHEMBL2935226 0.83 PPARG (0.48) TACR1PPARGPPARANAMPTRORC
SCHEMBL1014375 0.83 PPARG (0.48) TACR1PPARGPPARANAMPTRORC
SCHEMBL1013992 0.81 PPARG (0.47) TACR1PPARGPPARAADAM17NAMPT
SCHEMBL3916256 0.76 STS (0.48) TACR1PPARGPPARANAMPTRORC
SCHEMBL2934462 0.76 STS (0.48) TACR1PPARGPPARANAMPTRORC
SCHEMBL2934459 0.76 STS (0.48) TACR1PPARGPPARANAMPTRORC
SCHEMBL4505302 0.76 JAK2 (0.53) TACR1PPARGPPARA
SCHEMBL1013868 0.74 PDE4B (0.49) TACR1NAMPTRORC
SCHEMBL18889424 0.73 ACHE (0.56) ACHEKMT2A

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 254/4885GRM2 3601/4885GRM3 3319/4885

“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.