SCHEMBL4422922

SCHEMBL4422922

CS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)c(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 0.68
KCNH2 Q12809 4/20 0.68
SLC6A5 Q9Y345 1/20 0.56
KMT2A Q03164 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 4/20 0.51
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 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
SCHEMBL4424397 0.94 SLC6A9 (0.69) SLC6A9KCNH2SLC6A5KMT2ASMN1; SMN2
SCHEMBL4424671 0.93 SLC6A9 (0.69) SLC6A9KCNH2SLC6A5KMT2ALMNA
SCHEMBL4433641 0.88 SLC6A9 (0.64) SLC6A9KCNH2SLC6A5KMT2AMEN1
SCHEMBL4429398 0.88 SLC6A9 (0.64) SLC6A9KCNH2SLC6A5KMT2ASMN1; SMN2
SCHEMBL4428412 0.88 SLC6A9 (0.68) SLC6A9KCNH2SLC6A5KMT2ASMN1; SMN2
SCHEMBL4428391 0.87 SLC6A9 (0.73) SLC6A9KCNH2SLC6A5KMT2ASMN1; SMN2
SCHEMBL4426857 0.86 SLC6A9 (0.66) SLC6A9KCNH2SLC6A5KMT2ALMNA
SCHEMBL4939412 0.85 SLC6A9 (0.69) SLC6A9KCNH2SLC6A5KMT2ASMN1; SMN2
SCHEMBL4423034 0.84 SLC6A9 (0.68) SLC6A9KCNH2SLC6A5KMT2ASMN1; SMN2
SCHEMBL4435053 0.84 SLC6A9 (0.84) SLC6A9KCNH2KMT2AMEN1

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.