SCHEMBL5595280

SCHEMBL5595280

Fc1ccc(NC2C[C@H]3COC[C@@H](C2)N3Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.54
ROCK2 O75116 2/20 0.50
ARHGDIA P52565 2/20 0.50
ROCK1 Q13464 2/20 0.50
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
KCNH2 Q12809 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
SLC6A2 P23975 1/20 0.45
DRD3 P35462 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL14439615 1.00 LTA4H (0.54) LTA4HROCK2ARHGDIAROCK1OPRM1
SCHEMBL5595279 1.00 LTA4H (0.54) LTA4HROCK2ARHGDIAROCK1OPRM1
SCHEMBL6758155 0.89 LTA4H (0.65) LTA4HROCK2ARHGDIAROCK1OPRM1
SCHEMBL6758154 0.89 LTA4H (0.65) LTA4HROCK2ARHGDIAROCK1OPRM1
SCHEMBL5240088 0.77 DRD4 (0.48) DRD2DRD4SLC6A2DRD3CHRM2
SCHEMBL636999 0.76 CHRM2 (0.58) LTA4HDRD2DRD4DRD3MEN1
SCHEMBL7495709 0.75 DRD4 (0.41) LTA4HOPRK1DRD2DRD4SLC6A2
SCHEMBL8329958 0.75 DRD4 (0.41) LTA4HOPRK1DRD2DRD4SLC6A2
SCHEMBL7491794 0.75 DRD4 (0.41) LTA4HOPRK1DRD2DRD4SLC6A2
SCHEMBL15421001 0.74 CHRM2 (0.57) LTA4HOPRM1OPRK1KCNH2DRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070196270-A1 Compounds As Ccri Antagonists HENG RICHARD 2007-08-23 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-20070196270-A1 Compounds As Ccri Antagonists CCR1, CCR10, CCR4 LTA4H 417/4885ROCK2 3668/4885ARHGDIA 1327/4885

“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.