SCHEMBL6133467

SCHEMBL6133467

CC(C)(C)OC(=O)N1CCC(c2cn(Cc3ccc(S(C)(=O)=O)cc3)c3ccccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.54
SCN9A Q15858 1/20 0.46
SLC2A1 P11166 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NCOR2 Q9Y618 1/20 0.44

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
SCHEMBL5705019 0.87 PTGDR2 (0.49) SLC2A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL5705160 0.86 SLC2A1 (0.52) SCN9ASLC2A1HDAC3HDAC1HDAC2
SCHEMBL5705111 0.80 SCN9A (0.52) GPR119SCN9A
SCHEMBL27322905 0.78 SCN9A (0.50) GPR119SCN9A
Hydrochloric Acid SCHEMBL6133627 0.78 HTR6 (0.53) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL5705187 0.77 HTR6 (0.60) GPR119SCN9A
SCHEMBL558066 0.77 SCN9A (0.61) GPR119SCN9A
SCHEMBL14181452 0.77 SLC2A1 (0.57) GPR119SLC2A1
SCHEMBL1570643 0.77 HTR6 (0.58) SCN9A
SCHEMBL5705173 0.76 SCN9A (0.46) GPR119SCN9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245540-A1 New methods FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 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-20050245540-A1 New methods TGFB1, TGFBR1, TGFB2 GPR119 150/4885SCN9A 2148/4885SLC2A1 1374/4885

“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.