SCHEMBL8937503

SCHEMBL8937503

CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CCC(F)(F)F)CC3)cc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.35
CCR3 P51677 4/20 0.35
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34
TLR9 Q9NR96 2/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
EZH2 Q15910 1/20 0.33
PARP1 P09874 3/20 0.32
TIPARP Q7Z3E1 1/20 0.31
KCNH2 Q12809 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL8939077 0.93 HRH1 (0.35) HRH1CCR3DRD2SLC6A4ADRA1D
SCHEMBL8937316 0.90 DRD2 (0.40) HRH1CCR3DRD2SLC6A4PARP1
SCHEMBL8937313 0.88 MAOA (0.42) HRH1CCR3DRD2SLC6A4PARP1
SCHEMBL8937273 0.88 HRH1 (0.38) HRH1CCR3PARP1KCNH2MTNR1A
SCHEMBL8937479 0.86 PARP1 (0.41) HRH1CCR3DRD2SLC6A4PARP1
SCHEMBL8937447 0.85 HRH1 (0.37) HRH1CCR3DRD2SLC6A4KCNH2
SCHEMBL8937388 0.84 HRH1 (0.41) HRH1CCR3TLR9TLR8TLR7
SCHEMBL8937068 0.83 ROCK1 (0.44) HRH1CCR3TLR9TLR8TLR7
SCHEMBL8937572 0.82 OPRM1 (0.41) HRH1CCR3DRD2SLC6A4
SCHEMBL8934460 0.82 ROCK1 (0.39) HRH1SLC6A4PARP1MTNR1AMTNR1B

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 3890/4885DRD2 4589/4885

“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.