SCHEMBL4429477

SCHEMBL4429477

CS(=O)(=O)c1ccc(-c2ccccc2)c(C(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)c1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 19/20 0.75
KCNH2 Q12809 5/20 0.52
SLC6A5 Q9Y345 2/20 0.52
SLC6A7 Q99884 1/20 0.51
GPR55 Q9Y2T6 1/20 0.50

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 0.87 SLC6A9 (0.69) SLC6A9KCNH2SLC6A5
SCHEMBL4422319 0.85 SLC6A9 (1.00) SLC6A9KCNH2GPR55
SCHEMBL4435757 0.85 SLC6A9 (0.67) SLC6A9SLC6A7GPR55
SCHEMBL4425515 0.82 SLC6A9 (0.84) SLC6A9KCNH2GPR55
SCHEMBL4434158 0.81 SLC6A9 (0.80) SLC6A9SLC6A7GPR55
SCHEMBL4906069 0.80 SLC6A9 (0.69) SLC6A9KCNH2SLC6A5
SCHEMBL3918503 0.80 SLC6A9 (0.76) SLC6A9KCNH2SLC6A5
SCHEMBL5040979 0.80 SLC6A9 (0.86) SLC6A9KCNH2SLC6A5
SCHEMBL4914252 0.80 SLC6A9 (0.64) SLC6A9KCNH2SLC6A5
SCHEMBL3946327 0.80 SLC6A9 (0.79) 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 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.