SCHEMBL4424178

SCHEMBL4424178

COCCOc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 9/20 0.70
SLC6A9 P48067 12/20 0.69
MAPT P10636 2/20 0.61
POLB P06746 2/20 0.61
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 1/20 0.61
ALDH1A1 P00352 2/20 0.59
THRB P10828 1/20 0.52
PARP1 P09874 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL4426478 0.89 SLC6A5 (0.77) SLC6A5SLC6A9MAPTPOLBMEN1
SCHEMBL5047578 0.85 SLC6A9 (0.77) SLC6A9
SCHEMBL5044172 0.85 SLC6A9 (0.75) SLC6A5SLC6A9MAPTPOLBMEN1
SCHEMBL3927563 0.84 SLC6A5 (0.85) SLC6A5SLC6A9MAPTPOLBMEN1
SCHEMBL5046664 0.84 SLC6A9 (0.77) SLC6A5SLC6A9MAPTPOLBMEN1
SCHEMBL5042051 0.83 SLC6A9 (0.68) SLC6A5SLC6A9PARP1L3MBTL1
SCHEMBL4422454 0.83 SLC6A5 (0.76) SLC6A5SLC6A9MAPTPOLBMEN1
SCHEMBL3917755 0.83 SLC6A9 (0.72) SLC6A5SLC6A9MAPTPOLBMEN1
SCHEMBL5045283 0.82 SLC6A9 (0.94) SLC6A5SLC6A9MAPTPOLBMEN1
SCHEMBL3921674 0.82 SLC6A5 (0.98) SLC6A5SLC6A9MAPTPOLBMEN1

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-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
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US 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
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 SLC6A5 9/4885SLC6A9 82/4885MAPT 150/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 SLC6A5 9/4885SLC6A9 82/4885MAPT 150/4885

“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.