SCHEMBL8935561

SCHEMBL8935561

Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCN(CC2CCCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.40
OPRK1 P41145 4/20 0.40
OPRL1 P41146 4/20 0.40
OPRD1 P41143 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
ACHE P22303 2/20 0.39
ROCK1 Q13464 2/20 0.39
HRH1 P35367 6/20 0.39
CCR3 P51677 6/20 0.39
KCNH2 Q12809 1/20 0.37
EHMT2 Q96KQ7 1/20 0.36
SCN1A P35498 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
S1PR5 Q9H228 1/20 0.36
HTR4 Q13639 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
SCHEMBL8935499 0.95 HRH1 (0.41) OPRK1DRD2ROCK1HRH1CCR3
SCHEMBL8935441 0.85 HRH1 (0.41) ROCK1HRH1CCR3KCNH2S1PR5
SCHEMBL8938601 0.85 ROCK1 (0.50) ROCK1HRH1CCR3S1PR5
SCHEMBL8935395 0.84 PARP1 (0.43) DRD2DRD3ROCK1HRH1CCR3
SCHEMBL8935558 0.84 ROCK1 (0.41) OPRM1OPRK1OPRL1OPRD1ROCK1
SCHEMBL8938003 0.83 ROCK1 (0.59) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL8935478 0.83 HRH1 (0.45) ROCK1HRH1CCR3KCNH2
SCHEMBL8939126 0.82 ROCK1 (0.60) OPRM1OPRK1OPRD1ACHEROCK1
SCHEMBL8934495 0.82 ROCK1 (0.42) ROCK1HRH1CCR3KCNH2
SCHEMBL8935399 0.82 MAOA (0.46) ROCK1HRH1CCR3KCNH2

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 OPRM1 3345/4885OPRK1 2154/4885OPRL1 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.