SCHEMBL8935101

SCHEMBL8935101

CCCCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.60
MAOB P27338 4/20 0.60
ROCK1 Q13464 1/20 0.56
PARP1 P09874 8/20 0.52
HRH3 Q9Y5N1 3/20 0.48
HRH1 P35367 3/20 0.41
CCR3 P51677 3/20 0.41
KCNH2 Q12809 3/20 0.41
CCR1 P32246 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
SCHEMBL8935088 0.94 ROCK1 (0.58) MAOAMAOBROCK1PARP1HRH3
SCHEMBL8936996 0.89 MAOA (0.58) MAOAMAOBROCK1PARP1HRH3
SCHEMBL8935086 0.89 ROCK1 (0.60) MAOAMAOBROCK1PARP1HRH3
SCHEMBL8935120 0.86 PARP1 (0.56) MAOAMAOBROCK1PARP1HRH1
SCHEMBL8935130 0.85 ROCK1 (0.57) MAOAMAOBROCK1PARP1HRH1
SCHEMBL8935114 0.85 ROCK1 (0.58) MAOAMAOBROCK1PARP1HRH3
SCHEMBL8938757 0.85 ROCK1 (0.56) MAOAMAOBROCK1PARP1HRH1
SCHEMBL8935399 0.84 MAOA (0.46) MAOAMAOBROCK1PARP1HRH3
SCHEMBL8935109 0.84 ROCK1 (0.57) MAOAMAOBROCK1PARP1HRH3
SCHEMBL8937004 0.83 PARP1 (0.54) MAOAMAOBROCK1PARP1HRH3

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 MAOA 2633/4885MAOB 2595/4885ROCK1 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.