SCHEMBL8935478

SCHEMBL8935478

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 13/20 0.45
CCR3 P51677 13/20 0.45
KCNH2 Q12809 6/20 0.43
HRH3 Q9Y5N1 2/20 0.40
ROCK1 Q13464 2/20 0.38
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CCR1 P32246 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8935529 0.89 PARP1 (0.44) HRH1CCR3KCNH2ROCK1
SCHEMBL8935441 0.87 HRH1 (0.41) HRH1CCR3KCNH2HRH3ROCK1
SCHEMBL8935395 0.85 PARP1 (0.43) HRH1CCR3KCNH2HRH3ROCK1
SCHEMBL8935499 0.85 HRH1 (0.41) HRH1CCR3KCNH2HRH3ROCK1
SCHEMBL8934495 0.83 ROCK1 (0.42) HRH1CCR3KCNH2ROCK1
SCHEMBL8935399 0.83 MAOA (0.46) HRH1CCR3KCNH2HRH3ROCK1
SCHEMBL8935109 0.83 ROCK1 (0.57) HRH1CCR3KCNH2HRH3ROCK1
SCHEMBL8935561 0.83 OPRM1 (0.40) HRH1CCR3KCNH2ROCK1
SCHEMBL8938049 0.83 ROCK1 (0.58) HRH1CCR3KCNH2HRH3ROCK1
SCHEMBL8935605 0.82 MAOA (0.48)

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 HRH1 2936/4885CCR3 3890/4885KCNH2 2400/4885

“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.