SCHEMBL8937192

SCHEMBL8937192

CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4n[nH]c5ccccc45)CC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.42
CCR3 P51677 7/20 0.42
KCNH2 Q12809 4/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
CCR1 P32246 1/20 0.41
ROCK1 Q13464 4/20 0.39
ROCK2 O75116 1/20 0.39
CCR2 P41597 1/20 0.39
PARP1 P09874 2/20 0.39
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL8937140 0.84 MAOA (0.57) HRH1CCR3KCNH2MAOAMAOB
SCHEMBL8934889 0.83 ROCK1 (0.53) HRH1CCR3KCNH2MAOAMAOB
SCHEMBL8937154 0.82 ALDH1A1 (0.50) KMT2A
SCHEMBL8937125 0.81 HRH1 (0.47) HRH1CCR3KCNH2MAOAMAOB
SCHEMBL8937161 0.81 ACHE (0.47) HRH1CCR3KCNH2MAOAMAOB
SCHEMBL8937152 0.81 MAOA (0.48) HRH1CCR3KCNH2MAOAMAOB
SCHEMBL8937004 0.80 PARP1 (0.54) HRH1CCR3KCNH2MAOAMAOB
SCHEMBL8937111 0.79 MAOB (0.58) HRH1CCR3KCNH2MAOAMAOB
SCHEMBL8937147 0.79 MAOA (0.51) HRH1CCR3KCNH2MAOAMAOB
SCHEMBL8939037 0.79 HRH1 (0.41) HRH1CCR3KCNH2MAOAMAOB

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.