SCHEMBL4259531

SCHEMBL4259531

CC(C)(C)OC(=O)N1C[C@@H]2CCN(c3ccc(N)cc3F)[C@@H]2C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.53
NR1H2 P55055 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
LIPE Q05469 2/20 0.43
GPR119 Q8TDV5 8/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
DPP4 P27487 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
SCHEMBL2879399 1.00 USP30 (0.53) USP30NR1H2HDAC1HDAC2LIPE
SCHEMBL5262963 0.85 USP30 (0.42) USP30HDAC1HDAC2LIPEGPR119
SCHEMBL2884981 0.82 GPR119 (0.52) USP30NR1H2LIPEGPR119HRH3
SCHEMBL27405003 0.82 HDAC1 (0.49) USP30NR1H2HDAC1HDAC2LIPE
SCHEMBL27405008 0.82 HDAC1 (0.49) USP30NR1H2HDAC1HDAC2LIPE
SCHEMBL23783164 0.81 GPR119 (0.58) NR1H2GPR119SMN1; SMN2
SCHEMBL16570116 0.81 SMARCA2 (0.56) NR1H2GPR119SMN1; SMN2HRH3
SCHEMBL13419754 0.81 SMARCA2 (0.56) NR1H2GPR119SMN1; SMN2HRH3
SCHEMBL30890364 0.79 NR1H2 (0.46) USP30NR1H2HDAC1HDAC2GPR119
SCHEMBL18488357 0.79 USP30 (0.52) USP30NR1H2HDAC1HDAC2LIPE

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
US-8828991-B2 Azacyclyl-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-09 US disclosed
US-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 US disclosed
EP-1986646-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093363-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 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-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MPI, TPMT USP30 1108/4885NR1H2 2498/4885HDAC1 3993/4885

“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.