SCHEMBL8937112

SCHEMBL8937112

CCc1c[nH]c(=O)c2ccc(OC3CCN(C4CCCCC4)CC3)cc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.48
CCR3 P51677 1/20 0.48
HTR6 P50406 1/20 0.46
ROCK1 Q13464 1/20 0.46
HRH3 Q9Y5N1 15/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 2/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL8938703 0.89 ROCK1 (0.56) HTR6ROCK1KMT2A
SCHEMBL8935133 0.87 ROCK1 (0.61) HRH1CCR3ROCK1HRH3MEN1
SCHEMBL8934534 0.85 MAOA (0.50) HRH1CCR3HTR6ROCK1HRH3
SCHEMBL8937109 0.85 HTR6 (0.45) HRH1CCR3HTR6ROCK1HRH3
SCHEMBL8937004 0.83 PARP1 (0.54) HRH1CCR3HTR6ROCK1HRH3
SCHEMBL8937053 0.82 HRH3 (0.47) HRH1CCR3HTR6ROCK1HRH3
SCHEMBL8937579 0.81 HRH3 (0.42) HRH1CCR3HRH3MEN1KMT2A
SCHEMBL14981040 0.81 HRH3 (0.46) HRH3MEN1KMT2AKCNH2
SCHEMBL8937018 0.81 HRH3 (0.48) HRH1CCR3ROCK1HRH3MEN1
SCHEMBL8936996 0.81 MAOA (0.58) HRH1CCR3HTR6ROCK1HRH3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3890/4885HTR6 3177/4885

“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.