SCHEMBL8937203

SCHEMBL8937203

CCc1c[nH]c(=O)c2ccc(OC3CCN(CCC(F)(F)F)CC3)c(F)c12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.37
HRH1 P35367 9/20 0.36
CCR3 P51677 9/20 0.36
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KCNH2 Q12809 2/20 0.32
EZH2 Q15910 1/20 0.32
PARP1 P09874 2/20 0.32

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
SCHEMBL8939065 0.93 HTR1A (0.37) HTR1AHRH1CCR3DRD2SLC6A4
SCHEMBL8937197 0.90 DRD2 (0.42) HTR1AHRH1CCR3DRD2SLC6A4
SCHEMBL8936592 0.89 HRH1 (0.40) HTR1AHRH1CCR3DRD2SLC6A4
SCHEMBL8937200 0.88 MAOA (0.43) HTR1AHRH1CCR3DRD2SLC6A4
SCHEMBL8937187 0.88 HRH1 (0.39) HTR1AHRH1CCR3DRD2SLC6A4
SCHEMBL8934541 0.87 BRD4 (0.39) HTR1AHRH1CCR3MAOAMAOB
SCHEMBL8937201 0.84 HRH1 (0.42) HTR1AHRH1CCR3TLR8TLR7
SCHEMBL8938958 0.83 HRH1 (0.40) HTR1AHRH1CCR3MAOAMAOB
SCHEMBL8937242 0.83 OPRL1 (0.40) HTR1AHRH1CCR3DRD2
SCHEMBL8934431 0.82 ROCK1 (0.41) HTR1AHRH1SLC6A4

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 HTR1A 3673/4885HRH1 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.