SCHEMBL8936920

SCHEMBL8936920

Cc1c[nH]c(=O)c2ccc(OC3CCN(C[C@H]4CCCN4)CC3)c(F)c12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.40
HRH1 P35367 10/20 0.39
CCR3 P51677 10/20 0.39
ROCK1 Q13464 2/20 0.38
KCNH2 Q12809 1/20 0.35
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
HTR2A P28223 2/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNB1 Q02641 1/20 0.32

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
SCHEMBL8936609 0.87 OPRM1 (0.41) HRH1CCR3KCNH2
SCHEMBL8936493 0.85 HRH1 (0.42) HRH1CCR3ROCK1KCNH2
SCHEMBL8936923 0.84 ROCK1 (0.39) HRH1CCR3ROCK1KCNH2TLR9
SCHEMBL8936533 0.82 HRH1 (0.46) HRH1CCR3ROCK1KCNH2TLR8
SCHEMBL8934493 0.82 MAOA (0.39) HRH1CCR3ROCK1KCNH2
SCHEMBL8936483 0.82 MAOA (0.46) HRH1CCR3KCNH2
SCHEMBL8936974 0.81 HRH1 (0.38) HRH1CCR3KCNH2TLR9TLR8
SCHEMBL3228734 0.81 HRH1 (0.45) HRH1CCR3ROCK1KCNH2
SCHEMBL8936719 0.81 HRH1 (0.42) HRH1CCR3KCNH2
SCHEMBL8936664 0.81 SMN1; SMN2 (0.48) HRH1CCR3

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 PARP14 1807/4885HRH1 2936/4885CCR3 3890/4885

“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.