SCHEMBL4435757

SCHEMBL4435757

CS(=O)(=O)c1ccc(-c2ccccc2)c(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 9/20 0.67
SLC6A7 Q99884 2/20 0.62
PKM P14618 1/20 0.60
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
NR1H2 P55055 5/20 0.49
NR1H3 Q13133 5/20 0.49
GPR55 Q9Y2T6 1/20 0.49
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
KDM4E B2RXH2 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
SCHEMBL4429477 0.85 SLC6A9 (0.75) SLC6A9SLC6A7GPR55
SCHEMBL5041137 0.82 SLC6A9 (0.56) SLC6A9SLC6A7PKMCA12CA1
SCHEMBL4422319 0.80 SLC6A9 (1.00) SLC6A9GPR55
SCHEMBL4428800 0.80 SLC6A9 (0.59) SLC6A9SLC6A7GPR55KDM4E
SCHEMBL4432888 0.80 SLC6A9 (0.59) SLC6A9SLC6A7GPR55HCRTR1HCRTR2
SCHEMBL5041696 0.80 SLC6A9 (0.75) SLC6A9
SCHEMBL4434158 0.79 SLC6A9 (0.80) SLC6A9SLC6A7CA12CA1CA2
SCHEMBL5040981 0.79 SLC6A9 (0.70) SLC6A9SLC6A7PKM
SCHEMBL4424671 0.78 SLC6A9 (0.69) SLC6A9PKMKDM4E
SCHEMBL3874149 0.77 SLC6A9 (0.64) SLC6A9

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 2325/4885SLC6A7 160/4885PKM 2558/4885

“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.