SCHEMBL8937018

SCHEMBL8937018

CCc1c[nH]c(=O)c2ccc(OC3CCN(CC(C)C)CC3)cc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
HRH1 P35367 11/20 0.47
CCR3 P51677 11/20 0.47
KCNH2 Q12809 7/20 0.47
CCR1 P32246 1/20 0.46
PARP1 P09874 3/20 0.44
ROCK1 Q13464 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL8937077 0.90 PARP1 (0.55) HRH1CCR3KCNH2CCR1PARP1
SCHEMBL8935109 0.88 ROCK1 (0.57) HRH3HRH1CCR3KCNH2CCR1
SCHEMBL8937004 0.87 PARP1 (0.54) HRH3HRH1CCR3KCNH2CCR1
SCHEMBL8937053 0.86 HRH3 (0.47) HRH3HRH1CCR3KCNH2CCR1
SCHEMBL8934534 0.85 MAOA (0.50) HRH3HRH1CCR3KCNH2PARP1
SCHEMBL8936996 0.85 MAOA (0.58) HRH3HRH1CCR3KCNH2CCR1
SCHEMBL8937140 0.83 MAOA (0.57) HRH3HRH1CCR3KCNH2CCR1
SCHEMBL8937109 0.83 HTR6 (0.45) HRH3HRH1CCR3KCNH2CCR1
SCHEMBL8937068 0.82 ROCK1 (0.44) HRH1CCR3KCNH2CCR1PARP1
SCHEMBL8937147 0.82 MAOA (0.51) HRH3HRH1CCR3KCNH2PARP1

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 HRH3 3637/4885HRH1 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.