SCHEMBL5281631

SCHEMBL5281631

O=C(COCc1ccc(F)cc1)NCCC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 7/20 0.67
ACHE P22303 2/20 0.62
BCHE P06276 1/20 0.62

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
SCHEMBL5283344 0.84 HDAC3 (0.53) CHRM4
SCHEMBL5291871 0.83 FAAH (0.51) CHRM4
SCHEMBL5324907 0.83 BCHE (0.63) CHRM4ACHEBCHE
SCHEMBL5278692 0.81 HRH2 (0.53) CHRM4
SCHEMBL18826039 0.81 CHRM4 (1.00) CHRM4ACHE
SCHEMBL7310558 0.80 DRD2 (0.67)
SCHEMBL5285712 0.80 MEN1 (0.51) CHRM4
SCHEMBL5282980 0.79 CHRM4 (0.42) CHRM4
SCHEMBL5278655 0.79 BCHE (0.59) ACHEBCHE
Hydrochloric Acid SCHEMBL5285785 0.78 CHRM4 (0.41) CHRM4

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 4 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 disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 CHRM4 3413/4885ACHE 3161/4885BCHE 1641/4885

“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.