SCHEMBL4433369

SCHEMBL4433369

O=S(=O)(c1ccc(N2CCNCC2)c(F)c1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
HTR6 P50406 10/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A9 P48067 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
ACLY P53396 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL5045534 0.94 MAOB (0.42) LMNAALDH1A1KDM4EMAPTGAA
Hydrochloric Acid SCHEMBL5045377 0.93 MAPT (0.42) LMNAALDH1A1KDM4EMAPTGAA
Hydrochloric Acid SCHEMBL4418636 0.93 MAPT (0.42) LMNAALDH1A1KDM4EMAPTGAA
SCHEMBL5047508 0.93 ALDH1A1 (0.44) LMNAALDH1A1KDM4EMAPTGAA
SCHEMBL2573793 0.81 SLC6A9 (0.55) LMNAALDH1A1KDM4EMAPTGAA
SCHEMBL3923062 0.81 ALDH1A1 (0.58) LMNAALDH1A1KDM4EMAPTGAA
SCHEMBL5047347 0.80 SLC6A9 (0.42) LMNAALDH1A1KDM4EMAPTGAA
Hydrochloric Acid SCHEMBL4573223 0.80 SLC6A9 (0.54) LMNAALDH1A1MAPTGAAHTR6
SCHEMBL21330981 0.80 SLC6A9 (0.45) LMNAALDH1A1KDM4EMAPTGAA
SCHEMBL4422297 0.79 HTR6 (0.44) LMNAALDH1A1KDM4EMAPTGAA

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 17 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
CN-100522171-C 1-Benzoylpiperazine derivatives as glycine uptake inhibitors for the treatment of psychosis HOFFMANN LA ROCHE (CH) 2009-08-05 CN disclosed
EP-1703909-B1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed
US-7462617-B2 Substituted acylpiperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-09 US disclosed
US-7462617-B2 Substituted acylpiperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-09 US disclosed
US-7462617-B2 Substituted acylpiperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-09 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
CN-1878554-A 1-benzoyl-piperazine derivatives as glycine uptake inhibitors for the treatment of psychoses HOFFMANN LA ROCHE (CH) 2006-12-13 CN disclosed
EP-1703909-A1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2006-09-27 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
US-20050059668-A1 Substituted acylpiperazine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 US disclosed
WO-2005023261-A1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed
WO-2005023261-A1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO 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 (3 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 LMNA 4719/4885ALDH1A1 1436/4885KDM4E 2701/4885
US-20050059668-A1 Substituted acylpiperazine derivatives AGPAT5, ACHE, GRIK5 LMNA 4830/4885ALDH1A1 395/4885KDM4E 1377/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 LMNA 4719/4885ALDH1A1 1436/4885KDM4E 2701/4885

“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.