SCHEMBL3074982

SCHEMBL3074982

CC(=O)c1ccc(OC2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3OC(C)C)CC2)c(F)c1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 17/20 0.72
KCNH2 Q12809 2/20 0.53
GPR119 Q8TDV5 3/20 0.51
CYP2C9 P11712 1/20 0.48

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
SCHEMBL3082326 0.95 SLC6A9 (0.67) SLC6A9KCNH2GPR119CYP2C9
SCHEMBL3084991 0.90 SLC6A9 (0.57) SLC6A9KCNH2GPR119CYP2C9
SCHEMBL4867123 0.85 SLC6A9 (0.53) SLC6A9KCNH2GPR119CYP2C9
SCHEMBL4424473 0.84 SLC6A9 (1.00) SLC6A9KCNH2
SCHEMBL3080170 0.82 SLC6A9 (0.65) SLC6A9KCNH2
SCHEMBL3079674 0.82 SLC6A9 (0.61) SLC6A9KCNH2
SCHEMBL3085218 0.81 SLC6A9 (0.50) SLC6A9KCNH2GPR119CYP2C9
SCHEMBL3082386 0.81 SLC6A9 (0.59) SLC6A9KCNH2
SCHEMBL3084130 0.80 SLC6A9 (0.56) SLC6A9KCNH2GPR119
SCHEMBL4422118 0.80 SLC6A9 (0.76) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1843767-B1 2,5-DISUBSTITUTED PHENYL METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS. HOFFMANN LA ROCHE (CH) 2009-07-08 EP claimed
JP-2008527016-A 2008-07-24 JP claimed
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 claimed
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 claimed
US-20060160788-A1 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US claimed
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
US-7790763-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
EP-1843767-B1 2,5-DISUBSTITUTED PHENYL METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS. HOFFMANN LA ROCHE (CH) 2009-07-08 EP 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 1806/4885GPR119 471/4885

“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.