SCHEMBL4425451

SCHEMBL4425451

CS(=O)(=O)c1ccc(-c2ccccc2)c(C(=O)N2CCN(c3ccccc3F)CC2)c1

nearest known ligand 0.88

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 15/20 0.88
GPR55 Q9Y2T6 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.57
TSHR P16473 1/20 0.57
KCNH2 Q12809 1/20 0.55
KDM4E B2RXH2 1/20 0.53
ALOX15 P16050 1/20 0.53
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL4435029 0.94 SLC6A9 (0.78) SLC6A9GPR55SMN1; SMN2TSHRKCNH2
SCHEMBL4936327 0.94 SLC6A9 (1.00) SLC6A9GPR55KCNH2
SCHEMBL4429869 0.92 SLC6A9 (0.75) SLC6A9GPR55SMN1; SMN2TSHRKCNH2
SCHEMBL4421384 0.92 SLC6A9 (0.78) SLC6A9GPR55SMN1; SMN2TSHRKCNH2
SCHEMBL4434079 0.91 SLC6A9 (0.90) SLC6A9GPR55KCNH2
SCHEMBL4424609 0.90 SLC6A9 (0.72) SLC6A9GPR55SMN1; SMN2TSHRKDM4E
SCHEMBL5315108 0.88 SLC6A9 (0.79) SLC6A9GPR55KCNH2
SCHEMBL4427017 0.88 SLC6A9 (1.00) SLC6A9GPR55ALDH1A1
SCHEMBL4425515 0.87 SLC6A9 (0.84) SLC6A9GPR55KCNH2
SCHEMBL4938390 0.86 SLC6A9 (0.82) SLC6A9GPR55KCNH2

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 2325/4885GPR55 210/4885SMN1; SMN2 473/4885

“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.