SCHEMBL4426792

SCHEMBL4426792

N#Cc1cc(F)ccc1OC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.46
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CHRM4 P08173 2/20 0.41
PDE5A O76074 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
GPR6 P46095 4/20 0.40
EIF4E P06730 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
EPAS1 Q99814 1/20 0.39
AR P10275 1/20 0.39
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 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
SCHEMBL22470606 0.98 XDH (0.47) XDHMAOAMAOBCHRM4PDE5A
SCHEMBL23099080 0.92 CHRM4 (0.43) XDHCHRM4GPR6EPAS1AR
SCHEMBL22470817 0.85 TBK1 (0.51) IKBKETBK1
SCHEMBL3083289 0.85 HTR1A (0.48) IKBKETBK1
SCHEMBL29847200 0.85 TBK1 (0.51) IKBKETBK1
SCHEMBL15819822 0.82 CHRM4 (0.43) CHRM4EPAS1AR
SCHEMBL17306341 0.81 XDH (0.46) XDHMAOAMAOBPDE5APDE1A
SCHEMBL29846992 0.81 TBK1 (0.40) CHRM4GPR6EPAS1ARIKBKE
SCHEMBL6052399 0.81 KDM4E (0.54) XDHMAOAMAOBPDE5APDE1A
SCHEMBL23753850 0.81 TBK1 (0.40) CHRM4GPR6EPAS1ARIKBKE

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 XDH 1547/4885MAOA 807/4885MAOB 463/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 XDH 1547/4885MAOA 807/4885MAOB 463/4885

“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.