SCHEMBL3920372

SCHEMBL3920372

O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDE P14735 1/20 0.78
SLC6A9 P48067 15/20 0.78
SLC6A5 Q9Y345 15/20 0.78
PAX8 Q06710 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.69

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
SCHEMBL3916574 0.87 SLC6A5 (1.00) IDESLC6A9SLC6A5PAX8SMN1; SMN2
SCHEMBL3918885 0.87 SLC6A9 (1.00) IDESLC6A9SLC6A5PAX8SMN1; SMN2
SCHEMBL13687887 0.86 IDE (0.88) IDESLC6A9SLC6A5PAX8SMN1; SMN2
SCHEMBL3917786 0.84 SLC6A5 (1.00) IDESLC6A9SLC6A5PAX8SMN1; SMN2
SCHEMBL13687884 0.84 IDE (0.88) IDESLC6A9SLC6A5PAX8SMN1; SMN2
SCHEMBL3930734 0.84 SLC6A5 (1.00) IDESLC6A9SLC6A5PAX8SMN1; SMN2
SCHEMBL3920692 0.84 PAX8 (1.00) IDESLC6A9SLC6A5PAX8SMN1; SMN2
SCHEMBL3921665 0.83 SLC6A9 (1.00) IDESLC6A9SLC6A5PAX8SMN1; SMN2
SCHEMBL13687891 0.83 SLC6A9 (0.79) IDESLC6A9SLC6A5PAX8SMN1; SMN2
SCHEMBL3929154 0.82 IDE (0.84) IDESLC6A9SLC6A5PAX8SMN1; SMN2

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 9 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-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
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
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 IDE 3761/4885SLC6A9 4305/4885SLC6A5 2174/4885
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES OPRL1, ACHE, PNMT IDE 3761/4885SLC6A9 4305/4885SLC6A5 2174/4885

“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.