SCHEMBL4259538

SCHEMBL4259538

CC(C)(C)OC(=O)N1C=C2[C@@H](CCN2c2ccc(N)cc2F)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HRH3 Q9Y5N1 4/20 0.40
GPR119 Q8TDV5 5/20 0.38
USP30 Q70CQ3 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
PDE4B Q07343 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
SCHEMBL2879400 1.00 NR1H2 (0.42) NR1H2SMN1; SMN2HRH3GPR119USP30
SCHEMBL2884982 0.82 LIPE (0.42) NR1H2HRH3GPR119PDE4B
SCHEMBL30890364 0.73 NR1H2 (0.46) NR1H2SMN1; SMN2HRH3GPR119USP30
SCHEMBL15785400 0.73 GPR119 (0.49) NR1H2SMN1; SMN2GPR119USP30HDAC1
SCHEMBL31485228 0.73 JAK1 (0.48) NR1H2HRH3GPR119USP30HDAC1
SCHEMBL23783164 0.73 GPR119 (0.58) NR1H2SMN1; SMN2GPR119
SCHEMBL19211006 0.73 JAK1 (0.48) NR1H2HRH3GPR119USP30HDAC1
SCHEMBL29577114 0.73 JAK1 (0.48) NR1H2HRH3GPR119USP30HDAC1
SCHEMBL660403 0.73 NR1H2 (0.53) NR1H2SMN1; SMN2GPR119
SCHEMBL29508938 0.73 NR1H2 (0.53) NR1H2SMN1; SMN2GPR119

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 2 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

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 NR1H2 2498/4885SMN1; SMN2 3618/4885HRH3 455/4885

“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.