SCHEMBL8934943

SCHEMBL8934943

CC(C)CCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.57
PARP1 P09874 1/20 0.44
ROCK2 O75116 14/20 0.43
ROCK1 Q13464 2/20 0.43
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
GRM2 Q14416 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37

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
SCHEMBL8934940 0.90 MAP2K1 (0.59) MAP2K1ROCK2ROCK1PRKACAPRKCD
SCHEMBL8934906 0.89 MAP2K1 (0.60) MAP2K1PARP1ROCK2ROCK1PRKACA
SCHEMBL8936391 0.88 PARP1 (0.46) MAP2K1PARP1ROCK2ROCK1PRKACA
SCHEMBL8934924 0.87 MAP2K1 (0.58) MAP2K1PARP1ROCK2ROCK1PRKACA
SCHEMBL8935056 0.86 MAP2K1 (0.62) MAP2K1ROCK2ROCK1PRKACAPRKCD
SCHEMBL8938693 0.84 MAP2K1 (0.58) MAP2K1ROCK2ROCK1PRKACAPRKCD
SCHEMBL8938170 0.84 MAP2K1 (0.55) MAP2K1ROCK2ROCK1PRKACA
SCHEMBL2570202 0.84 MAP2K1 (0.62) MAP2K1ROCK2ROCK1PRKACAPRKCD
SCHEMBL8934947 0.84 MAP2K1 (0.60) MAP2K1ROCK2ROCK1PRKACAPRKCD
SCHEMBL8934942 0.83 MAP2K1 (0.61) MAP2K1ROCK2ROCK1PRKACAPRKCD

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 1916/4885PARP1 1294/4885ROCK2 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.