SCHEMBL5705187

SCHEMBL5705187

CC(C)(C)OC(=O)N1CCC(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.60
DRD2 P14416 1/20 0.53
SCN9A Q15858 1/20 0.50
BCHE P06276 1/20 0.49
TGFBR1 P36897 1/20 0.48
GPR119 Q8TDV5 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL1570643 0.93 HTR6 (0.58) HTR6DRD2SCN9A
SCHEMBL5705111 0.89 SCN9A (0.52) HTR6SCN9AGPR119
SCHEMBL25032332 0.86 HTR6 (0.48) HTR6DRD2SCN9ABCHETGFBR1
SCHEMBL31270546 0.86 HTR6 (0.48) HTR6DRD2SCN9ABCHETGFBR1
SCHEMBL558066 0.82 SCN9A (0.61) SCN9AGPR119MEN1KMT2A
SCHEMBL27322905 0.81 SCN9A (0.50) SCN9AGPR119MEN1KMT2A
SCHEMBL29212415 0.81 HTR6 (0.47) HTR6SCN9ABCHETGFBR1GPR119
SCHEMBL7482774 0.80 HTR6 (0.71) HTR6DRD2
SCHEMBL5203683 0.78 HTR6 (0.51) HTR6BCHETGFBR1GPR119
SCHEMBL14406151 0.78 GPR119 (0.47) HTR6SCN9AGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691807-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES Astellas Pharma Inc. (JP) 2006-08-23 EP disclosed
US-20050245540-A1 New methods FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
WO-2005056012-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES ASTELLAS PHARMA INC. (JP) 2005-06-23 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-20050245540-A1 New methods TGFB1, TGFBR1, TGFB2 HTR6 1013/4885DRD2 2595/4885SCN9A 2148/4885

“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.