SCHEMBL4426064

SCHEMBL4426064

CN(C)C(=O)Oc1ccc(S(C)(=O)=O)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
NCEH1 Q6PIU2 6/20 0.45
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
DRD2 P14416 1/20 0.43
TSHR P16473 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
STAT6 P42226 1/20 0.43
KCNH2 Q12809 1/20 0.43
CFD P00746 2/20 0.43
BLM P54132 1/20 0.43
PKM P14618 1/20 0.42
S1PR3 Q99500 1/20 0.42
MAPK1 P28482 1/20 0.41
APEX1 P27695 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL4418657 0.80 PTGDR2 (0.44) LMNATSHRMAPK1PTGDR2
SCHEMBL987275 0.80 LMNA (0.60) LMNAADRA2ACYP2D6CYP2C9DRD2
SCHEMBL1097386 0.76 LMNA (0.55) LMNAKCNH2S1PR3SMN1; SMN2
SCHEMBL2574654 0.76 S1PR3 (0.57) LMNAADRA2ACYP2D6CYP2C9DRD2
SCHEMBL2826308 0.76 LMNA (0.59) LMNAADRA2ACYP2D6CYP2C9DRD2
SCHEMBL27669128 0.75 LMNA (0.58) LMNAMAPK1APEX1SMN1; SMN2
SCHEMBL4425900 0.75 LMNA (0.54) LMNAS1PR3MAPK1APEX1SMN1; SMN2
SCHEMBL6630953 0.73 S1PR3 (0.65) LMNAADRA2ACYP2D6CYP2C9DRD2
SCHEMBL8962352 0.73 LMNA (0.70) LMNAMAPK1APEX1
SCHEMBL7030087 0.73 KDM4E (0.66) LMNANCEH1CYP2C9TSHRBLM

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 7 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
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 LMNA 4719/4885NCEH1 1566/4885ADRA2A 768/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 LMNA 4719/4885NCEH1 1566/4885ADRA2A 768/4885

“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.