SCHEMBL3916893

SCHEMBL3916893

CNS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 14/20 0.80
GPR55 Q9Y2T6 5/20 0.56
CNR1 P21554 3/20 0.55
SLC6A5 Q9Y345 3/20 0.55
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
KCNH2 Q12809 1/20 0.52
MEN1 O00255 1/20 0.46
CNR2 P34972 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL3917714 0.99 SLC6A9 (0.79) SLC6A9GPR55CNR1SLC6A5ALDH1A1
SCHEMBL3919952 0.91 SLC6A9 (0.81) SLC6A9SLC6A5KCNH2
SCHEMBL3918444 0.90 SLC6A9 (0.66) SLC6A9GPR55CNR1SLC6A5KCNH2
SCHEMBL3929600 0.90 SLC6A9 (0.76) SLC6A9GPR55CNR1SLC6A5ALDH1A1
SCHEMBL3922355 0.89 SLC6A9 (1.00) SLC6A9GPR55CNR1SLC6A5ALDH1A1
SCHEMBL3920951 0.89 SLC6A9 (0.75) SLC6A9GPR55CNR1SLC6A5ALDH1A1
SCHEMBL3925649 0.89 SLC6A9 (0.64) SLC6A9GPR55CNR1SLC6A5ALDH1A1
SCHEMBL3924617 0.89 SLC6A9 (0.64) SLC6A9GPR55CNR1SLC6A5ALDH1A1
SCHEMBL3919202 0.88 SLC6A9 (0.98) SLC6A9GPR55CNR1SLC6A5ALDH1A1
SCHEMBL3921484 0.88 SLC6A9 (0.62) SLC6A9GPR55CNR1SLC6A5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427612-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-23 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
JP-2007505060-A 2007-03-08 JP claimed
EP-1663232-A1 1-(2-AMINO-BENZOYL)-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-07 EP claimed
US-20050070539-A1 Benzoyl-piperazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-03-31 US claimed
WO-2005023260-A1 1- (2-AMINO-BENZOL) -PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO 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-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
EP-1663232-A1 1-(2-AMINO-BENZOYL)-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-07 EP disclosed
US-20050070539-A1 Benzoyl-piperazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-03-31 US disclosed
WO-2005023260-A1 1- (2-AMINO-BENZOL) -PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed
WO-2005023260-A1 1- (2-AMINO-BENZOL) -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 (2 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-20050070539-A1 Benzoyl-piperazine derivatives OPRL1, ACHE, PNMT SLC6A9 4305/4885GPR55 194/4885CNR1 884/4885
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES OPRL1, ACHE, PNMT SLC6A9 4305/4885GPR55 194/4885CNR1 884/4885

“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.