SCHEMBL8935133

SCHEMBL8935133

Cc1c[nH]c(=O)c2ccc(OC3CCN(C4CCCCC4)CC3)cc12

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.61
HRH1 P35367 1/20 0.49
CCR3 P51677 1/20 0.49
HRH3 Q9Y5N1 17/20 0.49
KCNH2 Q12809 5/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ADRA1A P35348 2/20 0.45

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
SCHEMBL8938507 0.88 ROCK1 (0.76) ROCK1
SCHEMBL8937112 0.87 HRH1 (0.48) ROCK1HRH1CCR3HRH3KCNH2
SCHEMBL8935558 0.83 ROCK1 (0.41) ROCK1HRH1CCR3HRH3KCNH2
SCHEMBL8935105 0.82 ROCK1 (0.60) ROCK1HRH3
SCHEMBL8935086 0.82 ROCK1 (0.60) ROCK1HRH1CCR3HRH3KCNH2
SCHEMBL8935114 0.80 ROCK1 (0.58) ROCK1HRH1CCR3HRH3KCNH2
SCHEMBL8935088 0.80 ROCK1 (0.58) ROCK1HRH1CCR3HRH3KCNH2
SCHEMBL8934331 0.80 ROCK1 (0.74) ROCK1HRH1HRH3
SCHEMBL8935109 0.79 ROCK1 (0.57) ROCK1HRH1CCR3HRH3KCNH2
SCHEMBL8935101 0.78 MAOA (0.60) ROCK1HRH1CCR3HRH3KCNH2

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
EP-2385047-B1 Piperidinyl-substituted isoquinolone derivatives SANOFI SA (FR) 2013-05-29 EP disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
EP-2385047-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI (FR) 2011-11-09 EP disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 US disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 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 (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-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives MYLK2, MYLK, RHOT2 ROCK1 8/4885HRH1 2936/4885CCR3 3890/4885

“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.