SCHEMBL4069841

SCHEMBL4069841

Cc1ccc2c(C3CCNCC3)c(C)[nH]c(=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.42
TLR9 Q9NR96 3/20 0.38
TLR8 Q9NR97 3/20 0.38
TLR7 Q9NYK1 3/20 0.38
KCNH2 Q12809 3/20 0.38
HTR2A P28223 2/20 0.38
TNKS O95271 2/20 0.37
PARP1 P09874 2/20 0.37
TNKS2 Q9H2K2 2/20 0.37
PLAT P00750 2/20 0.37
HTR6 P50406 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
PLG P00747 2/20 0.36
CHEK1 O14757 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36

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
SCHEMBL4078326 0.86 PARP1 (0.48) HTR2CTLR9TLR8TLR7KCNH2
SCHEMBL4078132 0.86 PARP1 (0.44) HTR2CTLR9TLR8TLR7KCNH2
SCHEMBL4077380 0.85 HTR2C (0.51) HTR2CTLR9TLR8TLR7KCNH2
SCHEMBL4076737 0.83 TSHR (0.44) HTR2ATNKSPARP1TNKS2HTR6
SCHEMBL4077645 0.80 PARP1 (0.45) TLR9TLR8TLR7PARP1
SCHEMBL4069147 0.79 HTR3A (0.43) KCNH2HTR2APARP1
SCHEMBL4068442 0.79 KCNH2 (0.46) HTR2CKCNH2HTR2ATNKSPARP1
SCHEMBL4077282 0.78 HTR2C (0.44) HTR2CTLR9TLR8TLR7KCNH2
SCHEMBL4075072 0.77 RAB9A (0.42) TLR9TLR8TLR7HTR2A
SCHEMBL4073316 0.70 OPRM1 (0.48) HTR2ATNKSPARP1TNKS2HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US claimed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US claimed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 EP claimed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US disclosed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 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-20060094743-A1 Isoquinoline compounds and medicinal use thereof PARP1, NQO1, PARP3 HTR2C 2811/4885TLR9 2083/4885TLR8 3461/4885

“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.