SCHEMBL5289480

SCHEMBL5289480

O=C(COCc1ccc(F)cc1)NCCC1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.56
ACHE P22303 6/20 0.56
TACR1 P25103 1/20 0.51
TACR3 P29371 1/20 0.51
DRD2 P14416 1/20 0.44
CHRM4 P08173 1/20 0.44
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 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
SCHEMBL5282166 0.89 ACHE (0.53) BCHEACHEDRD2CHRM4LMNA
SCHEMBL5282667 0.87 BCHE (0.55) BCHEACHETACR1DRD2CHRM4
SCHEMBL5291489 0.87 BCHE (0.52) BCHEACHETACR1DRD2LMNA
SCHEMBL5278655 0.87 BCHE (0.59) BCHEACHEDRD2
SCHEMBL5279913 0.85 BCHE (0.60) BCHEACHEDRD2
SCHEMBL5282975 0.85 BCHE (0.47) BCHEACHECHRM4
SCHEMBL5282971 0.85 BCHE (0.47) BCHEACHECHRM4
SCHEMBL5280165 0.85 BCHE (0.49) BCHEACHETACR1CHRM4KMT2A
SCHEMBL5280283 0.84 KMT2A (0.51) BCHEACHETACR1KMT2A
SCHEMBL5280288 0.84 KMT2A (0.51) BCHEACHETACR1KMT2A

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 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
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 BCHE 1641/4885ACHE 3161/4885TACR1 3952/4885

“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.