SCHEMBL8935441

SCHEMBL8935441

CCN1CCC(Oc2cc3c(C)c[nH]c(=O)c3cc2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.41
CCR3 P51677 9/20 0.41
ROCK1 Q13464 2/20 0.40
KCNH2 Q12809 3/20 0.40
HRH3 Q9Y5N1 3/20 0.37
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PARP1 P09874 2/20 0.34
KDM4A O75164 1/20 0.33
KDM4B O94953 1/20 0.33
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL8935395 0.91 PARP1 (0.43) HRH1CCR3ROCK1KCNH2HRH3
SCHEMBL8935399 0.89 MAOA (0.46) HRH1CCR3ROCK1KCNH2HRH3
SCHEMBL8935499 0.88 HRH1 (0.41) HRH1CCR3ROCK1KCNH2HRH3
SCHEMBL8935478 0.87 HRH1 (0.45) HRH1CCR3ROCK1KCNH2HRH3
SCHEMBL8934495 0.86 ROCK1 (0.42) HRH1CCR3ROCK1KCNH2PARP1
SCHEMBL8935529 0.85 PARP1 (0.44) HRH1CCR3ROCK1KCNH2PARP1
SCHEMBL8935561 0.85 OPRM1 (0.40) HRH1CCR3ROCK1KCNH2S1PR5
SCHEMBL8935605 0.85 MAOA (0.48) PARP1MAOAMAOB
SCHEMBL8938841 0.85 OPRM1 (0.43) HRH1CCR3ROCK1KCNH2PARP1
SCHEMBL8935557 0.85 HRH1 (0.40) HRH1CCR3ROCK1KCNH2PARP1

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 HRH1 2936/4885CCR3 3890/4885ROCK1 8/4885

“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.