SCHEMBL6566723

SCHEMBL6566723

CCC(=O)c1cc(N)ccc1OCC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.47
PARP15 Q460N3 3/20 0.47
IRAK4 Q9NWZ3 2/20 0.43
ACHE P22303 1/20 0.43
HTR4 Q13639 1/20 0.43
FAAH O00519 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SRC P12931 3/20 0.41
XDH P47989 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
MAP4K4 O95819 1/20 0.40
SCN9A Q15858 1/20 0.39

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
SCHEMBL6564450 0.81 CYP19A1 (0.55) PARP10PARP15CNR2
SCHEMBL11806036 0.76 THRB (0.44) PARP10PARP15CNR2SCN9A
SCHEMBL6566590 0.76 NPSR1 (0.54) PARP10PARP15
SCHEMBL6567866 0.76 EPHX2 (0.51) PARP10PARP15
SCHEMBL6568009 0.75 PTGDR2 (0.55)
SCHEMBL22419890 0.74 ALDH1A1 (0.53)
SCHEMBL6565669 0.74 HTR2A (0.41)
SCHEMBL6566640 0.74 ALDH1A1 (0.58) XDH
SCHEMBL16348730 0.74 PARP10 (0.58) PARP10PARP15IRAK4SRCSIRT2
SCHEMBL5704506 0.74 PARP15 (0.51) PARP10PARP15ACHEHTR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 EP 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 (1 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 PARP10 1752/4885PARP15 1490/4885IRAK4 2217/4885

“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.