SCHEMBL8937839

SCHEMBL8937839

Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.52
ALDH1A1 P00352 4/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
RAB9A P51151 2/20 0.42
SCN8A Q9UQD0 1/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
SLC5A7 Q9GZV3 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
NPC1 O15118 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD4 P21917 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL8937945 0.85 ROCK1 (0.56) ROCK1SCN8A
SCHEMBL8937933 0.84 ROCK1 (0.54) ROCK1SCN8ASCN9A
SCHEMBL8937808 0.83 ROCK1 (0.52) ROCK1
SCHEMBL8937973 0.83 ROCK1 (0.51) ROCK1SCN8ASCN9A
SCHEMBL8937951 0.82 ROCK1 (0.52) ROCK1BCHEACHESCN8ADRD4
SCHEMBL8937942 0.82 ROCK1 (0.55) ROCK1ALDH1A1ACHEDRD4
SCHEMBL8937944 0.82 ROCK1 (0.52) ROCK1ACHESCN8A
SCHEMBL8938080 0.82 ROCK1 (0.61) ROCK1
SCHEMBL8937801 0.82 ROCK1 (0.50) ROCK1ACHESCN8A
SCHEMBL8937943 0.82 ROCK1 (0.56) ROCK1BCHEACHESCN8A

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 8/4885ALDH1A1 2308/4885BCHE 3883/4885

“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.