SCHEMBL8937053

SCHEMBL8937053

CCc1c[nH]c(=O)c2ccc(OC3CCN(CC4CC4)CC3)cc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
OPRK1 P41145 1/20 0.46
ROCK1 Q13464 2/20 0.44
PARP1 P09874 4/20 0.42
HRH1 P35367 10/20 0.42
CCR3 P51677 10/20 0.42
KCNH2 Q12809 7/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CCR1 P32246 1/20 0.41
HTR6 P50406 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
SCHEMBL8937109 0.95 HTR6 (0.45) HRH3OPRK1ROCK1PARP1HRH1
SCHEMBL8937004 0.88 PARP1 (0.54) HRH3ROCK1PARP1HRH1CCR3
SCHEMBL8935114 0.88 ROCK1 (0.58) HRH3OPRK1ROCK1PARP1HRH1
SCHEMBL8934534 0.86 MAOA (0.50) HRH3ROCK1PARP1HRH1CCR3
SCHEMBL8936996 0.86 MAOA (0.58) HRH3ROCK1PARP1HRH1CCR3
SCHEMBL8937018 0.86 HRH3 (0.48) HRH3ROCK1PARP1HRH1CCR3
SCHEMBL8937140 0.84 MAOA (0.57) HRH3OPRK1ROCK1PARP1HRH1
SCHEMBL8937077 0.84 PARP1 (0.55) ROCK1PARP1HRH1CCR3KCNH2
SCHEMBL8937147 0.83 MAOA (0.51) HRH3ROCK1PARP1HRH1CCR3
SCHEMBL8937068 0.83 ROCK1 (0.44) ROCK1PARP1HRH1CCR3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HRH3 3637/4885OPRK1 2154/4885ROCK1 8/4885

“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.