SCHEMBL4432880

SCHEMBL4432880

CS(=O)(=O)c1ccc(-c2ccccc2F)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 19/20 0.79
KCNH2 Q12809 2/20 0.61
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
GPR55 Q9Y2T6 1/20 0.49

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
SCHEMBL4422115 0.90 SLC6A9 (0.79) SLC6A9KCNH2
SCHEMBL4426305 0.90 SLC6A9 (0.81) SLC6A9KCNH2GPR55
SCHEMBL4422970 0.90 SLC6A9 (0.78) SLC6A9KCNH2
SCHEMBL4422319 0.88 SLC6A9 (1.00) SLC6A9KCNH2GPR55
SCHEMBL4424944 0.88 SLC6A9 (0.75) SLC6A9KCNH2
SCHEMBL4435392 0.87 SLC6A9 (0.92) SLC6A9KCNH2GPR55
SCHEMBL4421486 0.86 SLC6A9 (0.81) SLC6A9KCNH2GPR55
SCHEMBL4942136 0.86 SLC6A9 (0.61) SLC6A9GPR55
SCHEMBL4426294 0.86 SLC6A9 (0.79) SLC6A9KCNH2GPR55
SCHEMBL4426355 0.86 SLC6A9 (0.82) SLC6A9KCNH2GPR55

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 5 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

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 628/4885MEN1 4761/4885

“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.