SCHEMBL3920380

SCHEMBL3920380

O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 13/20 0.86
SLC6A9 P48067 13/20 0.86
SMN1; SMN2 Q16637 1/20 0.82
IDE P14735 1/20 0.81
PAX8 Q06710 1/20 0.78
ALDH1A1 P00352 2/20 0.71
MAPT P10636 1/20 0.70

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
SCHEMBL13687923 0.95 SLC6A5 (0.84) SLC6A5SLC6A9SMN1; SMN2IDEPAX8
SCHEMBL3929976 0.93 SLC6A9 (0.78) SLC6A5SLC6A9SMN1; SMN2IDEPAX8
SCHEMBL3919355 0.92 SLC6A5 (1.00) SLC6A5SLC6A9SMN1; SMN2IDEPAX8
SCHEMBL5047429 0.91 SLC6A5 (0.81) SLC6A5SLC6A9SMN1; SMN2IDEPAX8
SCHEMBL3930734 0.90 SLC6A5 (1.00) SLC6A5SLC6A9SMN1; SMN2IDEPAX8
SCHEMBL13687895 0.90 SLC6A5 (0.88) SLC6A5SLC6A9SMN1; SMN2IDEPAX8
SCHEMBL3929594 0.90 SLC6A9 (0.82) SLC6A5SLC6A9SMN1; SMN2IDEPAX8
SCHEMBL3918168 0.90 SLC6A9 (0.82) SLC6A5SLC6A9SMN1; SMN2IDEPAX8
SCHEMBL13687890 0.90 SLC6A5 (0.83) SLC6A5SLC6A9SMN1; SMN2IDEPAX8
SCHEMBL13687894 0.90 SLC6A5 (0.86) SLC6A5SLC6A9SMN1; SMN2IDEPAX8

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 7 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-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 (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 SLC6A5 2174/4885SLC6A9 4305/4885SMN1; SMN2 227/4885
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES OPRL1, ACHE, PNMT SLC6A5 2174/4885SLC6A9 4305/4885SMN1; SMN2 227/4885

“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.