SCHEMBL3202747

SCHEMBL3202747

N[C@H]1CC[C@H](Oc2ccc3c(=O)[nH]ccc3c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 12/20 1.00
ROCK2 O75116 5/20 0.67
PRKACA P17612 4/20 0.67
PRKCD Q05655 2/20 0.67
PRKG1 Q13976 1/20 0.67
PKN1 Q16512 1/20 0.67
PKN2 Q16513 1/20 0.67
AAK1 Q2M2I8 1/20 0.67
CDC42BPA Q5VT25 1/20 0.67
Q6ZSR9 Q6ZSR9 1/20 0.67
BMP2K Q9NSY1 1/20 0.67
CDC42BPB Q9Y5S2 1/20 0.67
PRKX P51817 1/20 0.61
PRKCE Q02156 1/20 0.61
PRKD1 Q15139 1/20 0.61
MAP2K1 Q02750 2/20 0.46
PRKACG P22612 3/20 0.40
PRKACB P22694 3/20 0.40

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
SCHEMBL3211552 1.00 ROCK1 (1.00) ROCK1ROCK2PRKACAPRKCDPRKG1
SCHEMBL12879288 1.00 ROCK1 (1.00) ROCK1ROCK2PRKACAPRKCDPRKG1
SCHEMBL1204579 0.92 ROCK1 (0.85) ROCK1ROCK2PRKACAPRKCDPRKG1
SCHEMBL1204582 0.92 ROCK1 (0.85) ROCK1ROCK2PRKACAPRKCDPRKG1
SCHEMBL2333115 0.92 ROCK1 (0.85) ROCK1ROCK2PRKACAPRKCDPRKG1
SCHEMBL8195235 0.88 ROCK1 (0.82) ROCK1ROCK2PRKACAPRKCDPRKG1
SCHEMBL3217268 0.88 ROCK1 (0.82) ROCK1ROCK2PRKACAPRKCDPRKG1
SCHEMBL3217262 0.88 ROCK1 (0.82) ROCK1ROCK2PRKACAPRKCDPRKG1
SCHEMBL3217279 0.88 ROCK1 (0.82) ROCK1ROCK2PRKACAPRKCDPRKG1
SCHEMBL12879276 0.84 ROCK1 (1.00) ROCK1ROCK2PRKACAPRKCDPRKG1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742116-B2 Cycloalkylamine substituted isoquinolone derivatives SANOFI (FR) 2014-06-03 US claimed
US-20100056518-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-03-04 US claimed
EP-2125745-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES Sanofi-Aventis (FR) 2009-12-02 EP claimed
WO-2008077551-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO claimed
EP-2125745-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI SA (FR) 2017-02-22 EP disclosed
EP-2125745-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI SA (FR) 2017-02-22 EP disclosed
US-8742116-B2 Cycloalkylamine substituted isoquinolone derivatives SANOFI (FR) 2014-06-03 US disclosed
US-8742116-B2 Cycloalkylamine substituted isoquinolone derivatives SANOFI (FR) 2014-06-03 US disclosed
US-8742116-B2 Cycloalkylamine substituted isoquinolone derivatives SANOFI (FR) 2014-06-03 US disclosed
US-7893088-B2 6-substituted isoquinoline derivatives N.V. ORGANON (NL) 2011-02-22 US disclosed
US-7893088-B2 6-substituted isoquinoline derivatives N.V. ORGANON (NL) 2011-02-22 US disclosed
EP-2054389-B1 6-SUBSTITUTED ISOQUINOLINE DERIVATIVES AS ROCK-1 INHIBITORS ORGANON NV (NL) 2010-04-07 EP disclosed
US-20100056518-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-03-04 US disclosed
US-20100056518-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-03-04 US disclosed
EP-2125745-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES Sanofi-Aventis (FR) 2009-12-02 EP disclosed
WO-2008077551-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
WO-2008077551-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
WO-2008020081-A1 6-SUBSTITUTED ISOQUINOLINE DERIVATIVES AS ROCK-1 INHIBITORS N.V. ORGANON (NL) 2008-02-21 WO disclosed
US-20080045566-A1 6-SUBSTITUTED ISOQUINOLINE DERIVATIVES N.V. ORGANON (NL) 2008-02-21 US disclosed
US-20080045566-A1 6-SUBSTITUTED ISOQUINOLINE DERIVATIVES N.V. ORGANON (NL) 2008-02-21 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 (2 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-20080045566-A1 6-SUBSTITUTED ISOQUINOLINE DERIVATIVES ROCK1, ROCK2, RHOA ROCK1 1/4885ROCK2 2/4885PRKACA 2658/4885
US-20100056518-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES MYLK, MYLK2, MYLK3 ROCK1 6/4885ROCK2 8/4885PRKACA 426/4885

“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.