SCHEMBL8937140

SCHEMBL8937140

CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccccc4)CC3)cc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.57
MAOB P27338 5/20 0.57
PARP1 P09874 1/20 0.54
ROCK1 Q13464 2/20 0.51
ROCK2 O75116 1/20 0.51
CCR2 P41597 1/20 0.51
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
OPRK1 P41145 1/20 0.49
HRH3 Q9Y5N1 3/20 0.48
ACHE P22303 2/20 0.47
BCHE P06276 1/20 0.47
HRH1 P35367 2/20 0.46
CCR3 P51677 2/20 0.46
KCNH2 Q12809 2/20 0.46
CCR1 P32246 1/20 0.45

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
SCHEMBL8937120 0.91 MAOA (0.61) MAOAMAOBPARP1ROCK1ROCK2
SCHEMBL8937111 0.91 MAOB (0.58) MAOAMAOBPARP1ROCK1ROCK2
SCHEMBL8937147 0.91 MAOA (0.51) MAOAMAOBPARP1ROCK1ROCK2
SCHEMBL8993457 0.90 MAOA (0.50) MAOAMAOBPARP1ROCK1ROCK2
SCHEMBL8937161 0.90 ACHE (0.47) MAOAMAOBPARP1ROCK1ROCK2
SCHEMBL8937152 0.90 MAOA (0.48) MAOAMAOBPARP1ROCK1ROCK2
SCHEMBL8937125 0.89 HRH1 (0.47) MAOAMAOBPARP1HRH1CCR3
SCHEMBL8935195 0.89 MAOA (0.61) MAOAMAOBPARP1ROCK1ROCK2
SCHEMBL8937158 0.88 HRH1 (0.48) MAOAMAOBPARP1HRH1CCR3
SCHEMBL8937149 0.88 ADRB2 (0.50) MAOAMAOBPARP1HRH3ACHE

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 MAOA 2633/4885MAOB 2595/4885PARP1 1294/4885

“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.