SCHEMBL8934940

SCHEMBL8934940

CC(C)CN1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.59
ROCK1 Q13464 2/20 0.44
ROCK2 O75116 13/20 0.42
HRH3 Q9Y5N1 2/20 0.40
PRKACA P17612 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKG1 Q13976 1/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
CDC42BPA Q5VT25 1/20 0.40
Q6ZSR9 Q6ZSR9 1/20 0.40
BMP2K Q9NSY1 1/20 0.40
CDC42BPB Q9Y5S2 1/20 0.40
HRH1 P35367 2/20 0.39
CCR3 P51677 2/20 0.39
KCNH2 Q12809 1/20 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
SCHEMBL8934943 0.90 MAP2K1 (0.57) MAP2K1ROCK1ROCK2PRKACAPRKCD
SCHEMBL8938049 0.88 ROCK1 (0.58) MAP2K1ROCK1ROCK2HRH3PRKACA
SCHEMBL8935056 0.88 MAP2K1 (0.62) MAP2K1ROCK1ROCK2PRKACAPRKCD
SCHEMBL8935387 0.88 ROCK1 (0.44) MAP2K1ROCK1ROCK2HRH3PRKACA
SCHEMBL8934906 0.86 MAP2K1 (0.60) MAP2K1ROCK1ROCK2HRH3PRKACA
SCHEMBL8938170 0.86 MAP2K1 (0.55) MAP2K1ROCK1ROCK2HRH3PRKACA
SCHEMBL2570202 0.86 MAP2K1 (0.62) MAP2K1ROCK1ROCK2HRH3PRKACA
SCHEMBL8934942 0.85 MAP2K1 (0.61) MAP2K1ROCK1ROCK2HRH3PRKACA
SCHEMBL8934924 0.84 MAP2K1 (0.58) MAP2K1ROCK1ROCK2HRH3PRKACA
SCHEMBL8935003 0.84 MAP2K1 (0.57) MAP2K1ROCK1ROCK2PRKACA

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 MAP2K1 1916/4885ROCK1 8/4885ROCK2 10/4885

“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.