SCHEMBL8935147

SCHEMBL8935147

Cc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc(Cl)cc4)CC3)cc12

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.62
MAOA P21397 4/20 0.62
ROCK1 Q13464 3/20 0.54
PARP1 P09874 2/20 0.45
HRH3 Q9Y5N1 2/20 0.44
HRH1 P35367 4/20 0.44
CCR3 P51677 4/20 0.44
KCNH2 Q12809 4/20 0.44
CCR1 P32246 1/20 0.43
ROCK2 O75116 1/20 0.41
CCR2 P41597 1/20 0.41

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
SCHEMBL8935217 0.93 ROCK1 (0.53) MAOBMAOAROCK1PARP1HRH3
SCHEMBL8935224 0.93 ROCK1 (0.55) MAOBMAOAROCK1PARP1HRH3
SCHEMBL8935195 0.91 MAOA (0.61) MAOBMAOAROCK1PARP1HRH3
SCHEMBL8938789 0.90 ROCK1 (0.51) MAOBMAOAROCK1PARP1HRH3
SCHEMBL8935149 0.90 MAOA (0.64) MAOBMAOAROCK1PARP1HRH1
SCHEMBL8937111 0.89 MAOB (0.58) MAOBMAOAROCK1PARP1HRH3
SCHEMBL8935247 0.89 ROCK1 (0.53) MAOBMAOAROCK1PARP1HRH3
SCHEMBL8935228 0.88 ROCK1 (0.51) MAOBMAOAROCK1PARP1HRH3
SCHEMBL8935171 0.88 ROCK1 (0.51) MAOBMAOAROCK1HRH1CCR3
SCHEMBL8938787 0.88 ROCK1 (0.50) MAOBMAOAROCK1PARP1HRH3

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 MAOB 2595/4885MAOA 2633/4885ROCK1 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.