SCHEMBL3082392

SCHEMBL3082392

CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.51
KCNH2 Q12809 3/20 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
SCHEMBL3083226 0.85 SLC6A9 (0.48) SLC6A9KCNH2
SCHEMBL3079745 0.85 SLC6A9 (0.66) SLC6A9KCNH2
SCHEMBL3071578 0.84 SLC6A9 (0.61) SLC6A9KCNH2
SCHEMBL3088163 0.83 SLC6A9 (0.59) SLC6A9KCNH2
SCHEMBL3078431 0.81 SLC6A9 (0.49) SLC6A9KCNH2
SCHEMBL3074864 0.81 HRH1 (0.53) SLC6A9KCNH2
SCHEMBL3079748 0.81 SLC6A9 (0.58) SLC6A9KCNH2
SCHEMBL3077435 0.80 SLC6A9 (0.51) SLC6A9KCNH2
SCHEMBL3085218 0.80 SLC6A9 (0.50) SLC6A9KCNH2
SCHEMBL3075683 0.79 SLC6A9 (0.61) SLC6A9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790763-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
US-7790763-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
EP-1843767-A1 2,5-DISUBSTITUTED PHENYL METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS. F. Hoffmann-Roche AG (CH) 2007-10-17 EP disclosed
WO-2006077026-A1 2, 5-DISUBSTITUTED PHENYL METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-I) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRY DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-27 WO disclosed
US-20060160788-A1 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 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-20060160788-A1 Substituted phenyl methanone derivatives SLC6A5, SLC6A1, SLC1A1 SLC6A9 18/4885KCNH2 1806/4885

“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.