SCHEMBL5043479

SCHEMBL5043479

CC(=O)c1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)CC4CC4)ccc3N3CCOCC3)CC2)c(F)c1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 18/20 0.78
SLC6A5 Q9Y345 5/20 0.66
ALDH1A1 P00352 1/20 0.49
HPGD P15428 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
SCHEMBL5048597 0.92 SLC6A9 (0.66) SLC6A9SLC6A5ALDH1A1HPGD
SCHEMBL5048809 0.90 SLC6A9 (0.88) SLC6A9SLC6A5ALDH1A1HPGD
SCHEMBL8294729 0.90 SLC6A9 (0.63) SLC6A9SLC6A5ALDH1A1
SCHEMBL3919876 0.88 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL3994196 0.87 SLC6A9 (0.77) SLC6A9SLC6A5
SCHEMBL3919786 0.86 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL3922341 0.86 SLC6A9 (1.00) SLC6A9SLC6A5ALDH1A1HPGD
SCHEMBL3929509 0.84 SLC6A5 (0.86) SLC6A9SLC6A5ALDH1A1HPGD
SCHEMBL3929233 0.84 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL3925600 0.84 SLC6A9 (0.81) SLC6A9SLC6A5ALDH1A1HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595314-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-09-29 US disclosed
US-7595314-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-09-29 US disclosed
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES ALBERATI-GIANI DANIELA 2009-07-30 US disclosed
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES ALBERATI-GIANI DANIELA 2009-07-30 US disclosed
US-7427612-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-23 US disclosed
US-7427612-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-23 US disclosed
US-7427612-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-23 US disclosed
EP-1663232-B1 1-(2-AMINO-BENZOYL)-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2007-10-03 EP 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-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES OPRL1, ACHE, PNMT SLC6A9 4305/4885SLC6A5 2174/4885ALDH1A1 582/4885

“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.