SCHEMBL4433641

SCHEMBL4433641

CS(=O)(=O)c1ccc(-c2cccc(F)c2)c(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 16/20 0.64
KCNH2 Q12809 5/20 0.64
SLC6A5 Q9Y345 1/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD11B1 P28845 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
SCHEMBL4424671 0.92 SLC6A9 (0.69) SLC6A9KCNH2SLC6A5MEN1KMT2A
SCHEMBL4424397 0.91 SLC6A9 (0.69) SLC6A9KCNH2SLC6A5MEN1KMT2A
SCHEMBL4422922 0.88 SLC6A9 (0.68) SLC6A9KCNH2SLC6A5MEN1KMT2A
SCHEMBL4426857 0.87 SLC6A9 (0.66) SLC6A9KCNH2SLC6A5MEN1KMT2A
SCHEMBL4428412 0.87 SLC6A9 (0.68) SLC6A9KCNH2SLC6A5MEN1KMT2A
SCHEMBL4429398 0.85 SLC6A9 (0.64) SLC6A9KCNH2SLC6A5MEN1KMT2A
SCHEMBL4428391 0.84 SLC6A9 (0.73) SLC6A9KCNH2SLC6A5MEN1KMT2A
SCHEMBL4423034 0.83 SLC6A9 (0.68) SLC6A9KCNH2SLC6A5MEN1KMT2A
SCHEMBL4426977 0.83 SLC6A9 (0.82) SLC6A9KCNH2
SCHEMBL4939412 0.82 SLC6A9 (0.69) SLC6A9KCNH2SLC6A5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1703909-B1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed
US-7462617-B2 Substituted acylpiperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-09 US disclosed
US-7462617-B2 Substituted acylpiperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-09 US disclosed
US-7462617-B2 Substituted acylpiperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-09 US disclosed
US-20050059668-A1 Substituted acylpiperazine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 US disclosed
WO-2005023261-A1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 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-20050059668-A1 Substituted acylpiperazine derivatives AGPAT5, ACHE, GRIK5 SLC6A9 2325/4885KCNH2 628/4885SLC6A5 284/4885

“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.