SCHEMBL5275809

SCHEMBL5275809

O=C(COCc1ccc(F)cc1)NCCC1CCN(C(=O)N(CCO)CCc2cc3ccccc3[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.39
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRM4 P08173 4/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL5287747 0.89 SLC6A4 (0.36) AKR1C3SLC6A4SLC6A3CHRM4TPSAB1
SCHEMBL5285824 0.79 CHRM2 (0.35) AKR1C3SLC6A4SLC6A3CHRM4MTNR1A
SCHEMBL8260937 0.78 BCHE (0.48)
SCHEMBL6037910 0.73 CTSS (0.51)
SCHEMBL5284999 0.71 CTSS (0.49) CHRM4
SCHEMBL5291871 0.71 FAAH (0.51) CHRM4HDAC3HDAC1HDAC8HDAC6
SCHEMBL5410184 0.71 BCHE (0.52) CHRM4HDAC3HDAC1MEN1KMT2A
SCHEMBL5282166 0.71 ACHE (0.53) CHRM4MEN1KMT2A
SCHEMBL5289480 0.70 BCHE (0.56) CHRM4KMT2A
SCHEMBL5281631 0.70 CHRM4 (0.67) 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
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
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

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 AKR1C3 2200/4885SLC6A4 4364/4885SLC6A3 4067/4885

“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.