SCHEMBL8935067

SCHEMBL8935067

CCCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 9/20 0.45
MAP2K1 Q02750 2/20 0.44
DRD2 P14416 2/20 0.42
DRD3 P35462 1/20 0.42
PARP1 P09874 2/20 0.41
IGF1R P08069 2/20 0.41
MAPK8 P45983 2/20 0.41
GRK2 P25098 1/20 0.41
GRK5 P34947 1/20 0.41
GRK1 Q15835 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKACA P17612 1/20 0.41
PRKCD Q05655 1/20 0.41
PRKG1 Q13976 1/20 0.41
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41
Q6ZSR9 Q6ZSR9 1/20 0.41
BMP2K Q9NSY1 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
SCHEMBL8935274 0.94 MAOA (0.44) ROCK1MAP2K1DRD2DRD3PARP1
SCHEMBL8938071 0.88 ROCK1 (0.59) ROCK1MAP2K1DRD2DRD3PARP1
SCHEMBL8934906 0.87 MAP2K1 (0.60) ROCK1MAP2K1DRD2DRD3PARP1
SCHEMBL8935387 0.86 ROCK1 (0.44) ROCK1MAP2K1ROCK2PRKACAPRKCD
SCHEMBL8935064 0.86 MAP2K1 (0.45) ROCK1MAP2K1DRD2ROCK2PRKACA
SCHEMBL8935394 0.83 HRH3 (0.49) ROCK1MAP2K1ROCK2PRKACAPRKCD
SCHEMBL8938067 0.82 ROCK1 (0.57) ROCK1MAP2K1DRD2DRD3PARP1
SCHEMBL8934742 0.81 ROCK1 (0.63) ROCK1MAP2K1PARP1ROCK2PRKACA
SCHEMBL8934924 0.81 MAP2K1 (0.58) ROCK1MAP2K1DRD2DRD3PARP1
SCHEMBL8937316 0.81 DRD2 (0.40) DRD2DRD3PARP1IGF1RMAPK8

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 8/4885MAP2K1 1916/4885DRD2 4589/4885

“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.