SCHEMBL5285079

SCHEMBL5285079

O=C(COCc1ccc(F)cc1)NCCCCOc1cccc(CN2CCC(NC(=O)OCc3cccnc3)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.45
SLC6A5 Q9Y345 1/20 0.43
NPY5R Q15761 5/20 0.43
ROCK2 O75116 5/20 0.43
HRH2 P25021 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ROCK1 Q13464 2/20 0.42
KDM4E B2RXH2 1/20 0.41
F10 P00742 1/20 0.40

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
SCHEMBL5280500 0.88 CCR3 (0.52) CCR3SLC6A5NPY5RF10
SCHEMBL5282768 0.85 HRH2 (0.41) SLC6A5ROCK2HRH2HRH3KDM4E
SCHEMBL5282761 0.81 HRH2 (0.41) ROCK2HRH2HRH3KDM4EF10
SCHEMBL5285712 0.78 MEN1 (0.51) CCR3HRH2HRH3
SCHEMBL6038175 0.76 ADRA1A (0.46) CCR3HRH2HRH3
SCHEMBL5291389 0.75 HRH2 (0.58) HRH2HRH3KDM4E
SCHEMBL5277819 0.75 HRH2 (0.69) HRH2HRH3
SCHEMBL5290421 0.75 HRH2 (0.53) HRH2HRH3
SCHEMBL5278692 0.75 HRH2 (0.53) CCR3HRH2HRH3
SCHEMBL5293720 0.72 L3MBTL1 (0.58) HRH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO claimed

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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 CCR3 3790/4885SLC6A5 4540/4885NPY5R 1072/4885

“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.