SCHEMBL8935529

SCHEMBL8935529

Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCN(CCC(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.44
HRH1 P35367 9/20 0.40
CCR3 P51677 7/20 0.40
KCNH2 Q12809 4/20 0.39
ROCK1 Q13464 2/20 0.37
OPRM1 P35372 5/20 0.37
OPRL1 P41146 5/20 0.37
OPRD1 P41143 1/20 0.35
NAMPT P43490 1/20 0.34

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
SCHEMBL8935478 0.89 HRH1 (0.45) HRH1CCR3KCNH2ROCK1
SCHEMBL8935395 0.88 PARP1 (0.43) PARP1HRH1CCR3KCNH2ROCK1
SCHEMBL8935399 0.86 MAOA (0.46) PARP1HRH1CCR3KCNH2ROCK1
SCHEMBL8935441 0.85 HRH1 (0.41) PARP1HRH1CCR3KCNH2ROCK1
SCHEMBL8935120 0.84 PARP1 (0.56) PARP1HRH1CCR3KCNH2ROCK1
SCHEMBL8935557 0.84 HRH1 (0.40) PARP1HRH1CCR3KCNH2ROCK1
SCHEMBL8934495 0.84 ROCK1 (0.42) PARP1HRH1CCR3KCNH2ROCK1
SCHEMBL8935499 0.84 HRH1 (0.41) HRH1CCR3KCNH2ROCK1
SCHEMBL8938826 0.83 HRH1 (0.39) PARP1HRH1CCR3KCNH2ROCK1
SCHEMBL3230367 0.83 ROCK1 (0.41) PARP1HRH1CCR3KCNH2ROCK1

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 PARP1 1294/4885HRH1 2936/4885CCR3 3890/4885

“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.