SCHEMBL4424535

SCHEMBL4424535

O=C(c1cc([N+](=O)[O-])ccc1OCC1CCC1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.67
SLC6A5 Q9Y345 5/20 0.60
ENPP2 Q13822 4/20 0.54
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.49
IDE P14735 1/20 0.47
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL4426863 0.96 SLC6A9 (0.72) SLC6A9SLC6A5ENPP2LMNASMN1; SMN2
SCHEMBL4427344 0.87 SLC6A9 (0.66) SLC6A9SLC6A5ENPP2LMNASMN1; SMN2
SCHEMBL4424662 0.86 SLC6A9 (0.62) SLC6A9SLC6A5ENPP2LMNASMN1; SMN2
SCHEMBL4424133 0.86 SLC6A9 (0.62) SLC6A9SLC6A5ENPP2LMNASMN1; SMN2
SCHEMBL5038044 0.86 SLC6A9 (0.65) SLC6A9SLC6A5ENPP2LMNASMN1; SMN2
SCHEMBL5047636 0.85 SLC6A9 (0.64) SLC6A9SLC6A5ENPP2LMNASMN1; SMN2
SCHEMBL5037346 0.85 SLC6A9 (0.56) SLC6A9SLC6A5ENPP2LMNASMN1; SMN2
SCHEMBL4419066 0.85 SLC6A9 (0.62) SLC6A9SLC6A5ENPP2LMNASMN1; SMN2
SCHEMBL4422175 0.85 SLC6A9 (0.62) SLC6A9SLC6A5ENPP2LMNASMN1; SMN2
SCHEMBL4425815 0.85 SLC6A9 (0.62) SLC6A9SLC6A5ENPP2LMNASMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605163-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-20 US claimed
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES JOLIDON SYNESE 2008-05-22 US claimed
EP-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
EP-1656361-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP claimed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US claimed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO claimed
US-7605163-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-20 US disclosed
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES JOLIDON SYNESE 2008-05-22 US disclosed
US-7319099-B2 Such as 1-{3-fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl benzoyl)-piperazin-1-yl]-phenyl}-ethanone for treatment of psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia, attention deficit disorders, or Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
EP-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed
EP-1656361-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US disclosed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 SLC6A9 82/4885SLC6A5 9/4885ENPP2 1669/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 SLC6A9 82/4885SLC6A5 9/4885ENPP2 1669/4885

“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.