SCHEMBL2823971

SCHEMBL2823971

C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.71
KCNH2 Q12809 7/20 0.68
SLC6A5 Q9Y345 2/20 0.66

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
SCHEMBL2825253 0.93 SLC6A9 (0.67) SLC6A9KCNH2SLC6A5
SCHEMBL2825308 0.87 SLC6A9 (0.57) SLC6A9KCNH2SLC6A5
SCHEMBL2825327 0.85 SLC6A9 (0.72) SLC6A9KCNH2SLC6A5
SCHEMBL2823460 0.85 SLC6A9 (0.72) SLC6A9KCNH2SLC6A5
SCHEMBL2828717 0.85 SLC6A9 (0.72) SLC6A9KCNH2SLC6A5
SCHEMBL2825325 0.85 SLC6A9 (0.69) SLC6A9KCNH2SLC6A5
SCHEMBL2823681 0.85 SLC6A9 (0.69) SLC6A9KCNH2SLC6A5
SCHEMBL2828779 0.85 SLC6A9 (0.71) SLC6A9KCNH2SLC6A5
SCHEMBL2826593 0.85 SLC6A9 (0.68) SLC6A9KCNH2SLC6A5
SCHEMBL2828801 0.84 SLC6A9 (0.71) SLC6A9KCNH2SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838308-B1 [4-(HETEROARYL)PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS HOFFMANN LA ROCHE (CH) 2010-06-30 EP claimed
EP-1838308-A1 [4-(HETEROARYL)PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. Hoffmann-Roche AG (CH) 2007-10-03 EP claimed
US-7220744-B2 Monocyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2007-05-22 US claimed
US-20060167009-A1 Monocyclic substituted phenyl methanones F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 US claimed
WO-2006072436-A1 [4-(HETEROARYL) PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-13 WO claimed
EP-1838308-B1 [4-(HETEROARYL)PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
EP-1838308-A1 [4-(HETEROARYL)PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. Hoffmann-Roche AG (CH) 2007-10-03 EP disclosed
US-7220744-B2 Monocyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2007-05-22 US disclosed
US-7220744-B2 Monocyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2007-05-22 US disclosed
US-7220744-B2 Monocyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2007-05-22 US disclosed
US-20060167009-A1 Monocyclic substituted phenyl methanones F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 US disclosed
WO-2006072436-A1 [4-(HETEROARYL) PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-13 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-20060167009-A1 Monocyclic substituted phenyl methanones SLC1A2, SULT2A1, SLC6A5 SLC6A9 23/4885KCNH2 1808/4885SLC6A5 3/4885

“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.