SCHEMBL4423664

SCHEMBL4423664

O=C(c1cc([N+](=O)[O-])ccc1OC(CF)CF)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.62
SLC6A5 Q9Y345 6/20 0.62
KCNH2 Q12809 1/20 0.55
ENPP2 Q13822 4/20 0.54
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 1/20 0.52
IDE P14735 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HTR1A P08908 1/20 0.47

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
SCHEMBL4420914 0.90 SLC6A9 (0.66) SLC6A9SLC6A5KCNH2ENPP2LMNA
SCHEMBL4425899 0.89 SLC6A9 (0.72) SLC6A9SLC6A5KCNH2ENPP2LMNA
SCHEMBL5132694 0.88 SLC6A9 (0.57) SLC6A9SLC6A5KCNH2ENPP2LMNA
SCHEMBL4423945 0.87 SLC6A9 (0.61) SLC6A9SLC6A5KCNH2ENPP2LMNA
SCHEMBL4427344 0.86 SLC6A9 (0.66) SLC6A9SLC6A5KCNH2ENPP2LMNA
SCHEMBL4419066 0.85 SLC6A9 (0.62) SLC6A9SLC6A5KCNH2ENPP2LMNA
SCHEMBL5038044 0.85 SLC6A9 (0.65) SLC6A9SLC6A5KCNH2ENPP2LMNA
SCHEMBL4419697 0.84 SLC6A9 (0.61) SLC6A9SLC6A5KCNH2ENPP2LMNA
SCHEMBL5047636 0.84 SLC6A9 (0.64) SLC6A9SLC6A5KCNH2ENPP2LMNA
SCHEMBL5045633 0.84 SLC6A9 (0.61) SLC6A9SLC6A5KCNH2ENPP2LMNA

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 4 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 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
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 SLC6A9 82/4885SLC6A5 9/4885KCNH2 719/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 SLC6A9 82/4885SLC6A5 9/4885KCNH2 719/4885

“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.