SCHEMBL5280500

SCHEMBL5280500

O=C(COCc1ccc(F)cc1)NCCCCOc1cccc(CN2CCC(NC(=O)c3ccncc3)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 5/20 0.52
DRD2 P14416 5/20 0.49
DRD4 P21917 5/20 0.49
HTR2A P28223 3/20 0.48
F10 P00742 1/20 0.46
MCHR1 Q99705 3/20 0.46
UTS2R Q9UKP6 1/20 0.46
SLC2A1 P11166 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
HTR7 P34969 1/20 0.45
NPY5R Q15761 1/20 0.44

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
SCHEMBL5285079 0.88 CCR3 (0.45) CCR3F10SLC6A5NPY5R
SCHEMBL5285712 0.81 MEN1 (0.51) CCR3HTR2A
SCHEMBL5282768 0.81 HRH2 (0.41) F10SLC6A5
SCHEMBL6038175 0.80 ADRA1A (0.46) CCR3DRD2MCHR1HTR7
SCHEMBL5277819 0.79 HRH2 (0.69)
SCHEMBL5291389 0.79 HRH2 (0.58)
SCHEMBL5278692 0.79 HRH2 (0.53) CCR3HTR2A
SCHEMBL5290421 0.79 HRH2 (0.53)
SCHEMBL5282761 0.79 HRH2 (0.41) F10
SCHEMBL5293720 0.75 L3MBTL1 (0.58) DRD2HTR2AHTR7

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 3790/4885DRD2 2860/4885DRD4 2885/4885

“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.