SCHEMBL8936592

SCHEMBL8936592

Cc1c[nH]c(=O)c2ccc(OC3CCN(CCC(F)(F)F)CC3)c(F)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.40
CCR3 P51677 9/20 0.40
KCNH2 Q12809 3/20 0.36
ROCK1 Q13464 1/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
HTR7 P34969 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
NUAK1 O60285 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
EZH2 Q15910 1/20 0.33

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
SCHEMBL8938958 0.93 HRH1 (0.40) HRH1CCR3KCNH2ROCK1HTR1A
SCHEMBL8937203 0.89 HTR1A (0.37) HRH1CCR3KCNH2HTR1ADRD2
SCHEMBL8936483 0.87 MAOA (0.46) HRH1CCR3KCNH2HTR1ADRD2
SCHEMBL8936493 0.87 HRH1 (0.42) HRH1CCR3KCNH2ROCK1MAOA
SCHEMBL8936546 0.86 HRH1 (0.42) HRH1CCR3KCNH2HTR1AHTR7
SCHEMBL8934493 0.85 MAOA (0.39) HRH1CCR3KCNH2ROCK1MAOA
SCHEMBL8936533 0.84 HRH1 (0.46) HRH1CCR3KCNH2ROCK1TLR8
SCHEMBL8936820 0.83 ADRB2 (0.43) HRH1CCR3KCNH2MAOAMAOB
SCHEMBL8939065 0.83 HTR1A (0.37) HRH1CCR3KCNH2HTR1ADRD2
SCHEMBL3228745 0.82 HRH1 (0.45) HRH1CCR3KCNH2ROCK1

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.