SCHEMBL8936615

SCHEMBL8936615

Cc1c[nH]c(=O)c2ccc(OC3CCN(C4CCCCC4)CC3)c(F)c12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.40
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
KCNH2 Q12809 3/20 0.37
ADRA1A P35348 2/20 0.37
HRH1 P35367 1/20 0.36
CCR3 P51677 1/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL8938665 0.89 ROCK1 (0.44) HRH1CCR3ROCK1
SCHEMBL8934493 0.86 MAOA (0.39) KCNH2HRH1CCR3ROCK1
SCHEMBL8936609 0.85 OPRM1 (0.41) OPRM1OPRL1KCNH2HRH1CCR3
SCHEMBL8936493 0.83 HRH1 (0.42) HRH3KCNH2HRH1CCR3ROCK1
SCHEMBL3229103 0.81 ROCK1 (0.43) HRH1CCR3ROCK1
SCHEMBL8936533 0.80 HRH1 (0.46) HRH3KCNH2HRH1CCR3ROCK1
SCHEMBL8936483 0.80 MAOA (0.46) HRH3KCNH2HRH1CCR3
SCHEMBL8936920 0.79 PARP14 (0.40) KCNH2HRH1CCR3ROCK1
SCHEMBL3228745 0.79 HRH1 (0.45) KCNH2HRH1CCR3ROCK1
SCHEMBL8936546 0.79 HRH1 (0.42) OPRM1OPRL1KCNH2HRH1CCR3

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 3637/4885OPRM1 3345/4885OPRL1 3201/4885

“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.