SCHEMBL8937945

SCHEMBL8937945

Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.56
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
SCN1A P35498 4/20 0.45
SCN8A Q9UQD0 4/20 0.45
MAP2K1 Q02750 1/20 0.45
PRKACA P17612 3/20 0.45
PRKACG P22612 3/20 0.45
PRKACB P22694 3/20 0.45
ROCK2 O75116 1/20 0.44
CCR2 P41597 1/20 0.44
JAK1 P23458 1/20 0.44
PARP1 P09874 1/20 0.43
MAPK14 Q16539 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
SCHEMBL8937943 0.92 ROCK1 (0.56) ROCK1MAOAMAOBSCN1ASCN8A
SCHEMBL8937993 0.91 ROCK1 (0.52) ROCK1MAOAMAOBSCN1ASCN8A
SCHEMBL8993394 0.91 ROCK1 (0.53) ROCK1SCN1ASCN8APRKACAPRKACG
SCHEMBL8937994 0.91 ROCK1 (0.55) ROCK1MAOAMAOBMAP2K1PRKACA
SCHEMBL8937944 0.90 ROCK1 (0.52) ROCK1SCN1ASCN8APRKACAPRKACG
SCHEMBL8937925 0.90 ROCK1 (0.54) ROCK1MAOAMAOBMAP2K1PRKACA
SCHEMBL8937933 0.90 ROCK1 (0.54) ROCK1MAOAMAOBSCN1ASCN8A
SCHEMBL13890346 0.89 ROCK1 (0.53) ROCK1MAOAMAOBSCN1ASCN8A
SCHEMBL8934981 0.89 MAP2K1 (0.59) ROCK1MAOAMAOBSMN1; SMN2SCN1A
SCHEMBL8937973 0.89 ROCK1 (0.51) ROCK1MAOAMAOBSCN1ASCN8A

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 ROCK1 8/4885MAOA 2633/4885MAOB 2595/4885

“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.