SCHEMBL8936974

SCHEMBL8936974

Cc1c[nH]c(=O)c2ccc(OC3CCN(CC4CCOC4)CC3)c(F)c12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 12/20 0.38
CCR3 P51677 12/20 0.38
NAMPT P43490 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
DRD2 P14416 3/20 0.35
SLC6A4 P31645 1/20 0.35
ALK Q9UM73 1/20 0.35
KCNH2 Q12809 2/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
HTR2A P28223 2/20 0.33
EZH2 Q15910 1/20 0.33
HTR1A P08908 1/20 0.33
DRD1 P21728 1/20 0.33
HTR2C P28335 1/20 0.33
DRD3 P35462 1/20 0.33
HTR6 P50406 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
SCHEMBL8936609 0.87 OPRM1 (0.41) HRH1CCR3DRD2KCNH2DRD3
SCHEMBL8936923 0.84 ROCK1 (0.39) HRH1CCR3TLR9TLR8TLR7
SCHEMBL8936493 0.83 HRH1 (0.42) HRH1CCR3KCNH2
SCHEMBL8936920 0.81 PARP14 (0.40) HRH1CCR3TLR9TLR8TLR7
SCHEMBL8936533 0.81 HRH1 (0.46) HRH1CCR3TLR8TLR7KCNH2
SCHEMBL8934493 0.80 MAOA (0.39) HRH1CCR3KCNH2HTR2C
SCHEMBL8936483 0.80 MAOA (0.46) HRH1CCR3DRD2SLC6A4KCNH2
SCHEMBL8936546 0.79 HRH1 (0.42) HRH1CCR3NAMPTKCNH2HTR1A
SCHEMBL3228734 0.79 HRH1 (0.45) HRH1CCR3KCNH2
SCHEMBL8936664 0.79 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 HRH1 2936/4885CCR3 3890/4885NAMPT 1459/4885

“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.