SCHEMBL3919342

SCHEMBL3919342

CS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 14/20 0.77
SLC6A5 Q9Y345 5/20 0.65
KCNH2 Q12809 1/20 0.65
KDM4E B2RXH2 3/20 0.57
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 1/20 0.54
GLA P06280 1/20 0.54
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
GPR119 Q8TDV5 1/20 0.52

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
SCHEMBL3918503 0.89 SLC6A9 (0.76) SLC6A9SLC6A5KCNH2
SCHEMBL3920384 0.88 SLC6A9 (0.69) SLC6A9SLC6A5KCNH2
SCHEMBL3922608 0.88 SLC6A9 (0.74) SLC6A9SLC6A5KCNH2
SCHEMBL3929443 0.87 SLC6A9 (0.62) SLC6A9SLC6A5KCNH2LMNASMN1; SMN2
SCHEMBL8294249 0.87 SLC6A9 (1.00) SLC6A9SLC6A5KCNH2
SCHEMBL3922310 0.86 SLC6A9 (0.61) SLC6A9SLC6A5KCNH2LMNAGPR119
SCHEMBL3916621 0.86 SLC6A9 (0.72) SLC6A9SLC6A5KCNH2
SCHEMBL3917627 0.86 SLC6A9 (0.71) SLC6A9SLC6A5KCNH2
SCHEMBL3928505 0.85 SLC6A9 (0.73) SLC6A9SLC6A5KCNH2HTTSMN1; SMN2
SCHEMBL3920213 0.85 SLC6A9 (0.82) SLC6A9SLC6A5KCNH2

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 21 patents — showing the first 20. 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 claimed
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES ALBERATI-GIANI DANIELA 2009-07-30 US claimed
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 claimed
US-20050070539-A1 Benzoyl-piperazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-03-31 US claimed
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-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-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-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
EP-1856077-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-11-21 EP 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
WO-2006094843-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
WO-2006094843-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
US-20050070539-A1 Benzoyl-piperazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-03-31 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 (3 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-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors SLC6A7, SLC6A5, SLC1A2 SLC6A9 22/4885SLC6A5 2/4885KCNH2 691/4885
US-20050070539-A1 Benzoyl-piperazine derivatives OPRL1, ACHE, PNMT SLC6A9 4305/4885SLC6A5 2174/4885KCNH2 942/4885
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES OPRL1, ACHE, PNMT SLC6A9 4305/4885SLC6A5 2174/4885KCNH2 942/4885

“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.