SCHEMBL3920286

SCHEMBL3920286

CNS(=O)(=O)c1ccc(N2CCCC(O)C2)c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 15/20 0.51
SLC6A5 Q9Y345 1/20 0.47
GPR55 Q9Y2T6 3/20 0.46
KCNH2 Q12809 2/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
CNR1 P21554 2/20 0.43
TNF P01375 1/20 0.41
NOD1 Q9Y239 1/20 0.41

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
SCHEMBL3931828 0.91 SLC6A9 (0.62) SLC6A9SLC6A5GPR55KCNH2
SCHEMBL3921798 0.89 SLC6A9 (0.62) SLC6A9SLC6A5GPR55KCNH2ALDH1A1
SCHEMBL3929449 0.89 SLC6A9 (0.66) SLC6A9SLC6A5KCNH2
SCHEMBL3919276 0.89 SLC6A9 (0.64) SLC6A9SLC6A5GPR55KCNH2ALDH1A1
SCHEMBL3929598 0.88 SLC6A9 (0.47) SLC6A9GPR55KCNH2ALDH1A1MAPT
SCHEMBL3925649 0.86 SLC6A9 (0.64) SLC6A9SLC6A5GPR55KCNH2ALDH1A1
SCHEMBL3930103 0.86 SLC6A9 (0.47) SLC6A9SLC6A5GPR55KCNH2CNR1
SCHEMBL3929044 0.84 SLC6A9 (0.66) SLC6A9SLC6A5GPR55KCNH2
SCHEMBL3922406 0.83 SLC6A9 (0.50) SLC6A9SLC6A5GPR55ALDH1A1MAPT
SCHEMBL3929510 0.80 SLC6A9 (0.68) SLC6A9GPR55KCNH2

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 11 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-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
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

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 4305/4885SLC6A5 2174/4885GPR55 194/4885
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES OPRL1, ACHE, PNMT SLC6A9 4305/4885SLC6A5 2174/4885GPR55 194/4885

“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.