SCHEMBL8938003

SCHEMBL8938003

Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(CC2CCCCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.59
ACHE P22303 6/20 0.43
HTR4 Q13639 5/20 0.43
MAP2K1 Q02750 2/20 0.43
ROCK2 O75116 2/20 0.40
SIGMAR1 Q99720 2/20 0.39
PRKACA P17612 1/20 0.39
PRKCD Q05655 1/20 0.39
PRKG1 Q13976 1/20 0.39
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
Q6ZSR9 Q6ZSR9 1/20 0.39
BMP2K Q9NSY1 1/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39
HRH1 P35367 2/20 0.39
CCR3 P51677 2/20 0.39
OPRM1 P35372 3/20 0.39
OPRK1 P41145 3/20 0.39

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
SCHEMBL8939126 0.99 ROCK1 (0.60) ROCK1ACHEHTR4MAP2K1ROCK2
SCHEMBL8938029 0.95 ROCK1 (0.59) ROCK1ACHEHTR4MAP2K1ROCK2
SCHEMBL8937843 0.91 ROCK1 (0.60) ROCK1MAP2K1ROCK2PRKACAPRKCD
SCHEMBL8939175 0.90 ROCK1 (0.57) ROCK1ACHEHTR4MAP2K1ROCK2
SCHEMBL8936423 0.89 ACHE (0.46) ROCK1ACHEHTR4MAP2K1ROCK2
SCHEMBL8934954 0.88 MAP2K1 (0.58) ROCK1ACHEHTR4MAP2K1ROCK2
SCHEMBL8937914 0.87 ROCK1 (0.64) ROCK1MAP2K1ROCK2PRKACAPRKCD
SCHEMBL8937818 0.86 ROCK1 (0.52) ROCK1MAP2K1ROCK2PRKACAPRKCD
SCHEMBL8938080 0.86 ROCK1 (0.61) ROCK1MAP2K1ROCK2PRKACAPRKCD
SCHEMBL8938640 0.86 ROCK1 (0.76) ROCK1MAP2K1ROCK2PRKACAPRKCD

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 8/4885ACHE 3559/4885HTR4 4131/4885

“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.