SCHEMBL5287864

SCHEMBL5287864

CC(C)(C)OC(=O)N1CCC(c2nc(CCCCCNC(=O)COCc3ccc(F)cc3)cs2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.46
DNMT3A Q9Y6K1 1/20 0.40
TP53 P04637 3/20 0.40
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL5279824 0.84 FAAH (0.42)
SCHEMBL5285221 0.83 AOC3 (0.51) TP53ALDH1A1LMNA
SCHEMBL5280652 0.83 KMT2A (0.40) TP53ALDH1A1LMNA
SCHEMBL5278528 0.82 TP53 (0.40) TP53LMNA
SCHEMBL5288293 0.81 ALDH1A1 (0.40) ALDH1A1LMNA
SCHEMBL5281643 0.80 GPR119 (0.49) GPR119
SCHEMBL5278347 0.79 KMT2A (0.46) TP53ALDH1A1
SCHEMBL5279858 0.77 GPR119 (0.44) GPR119
SCHEMBL30926236 0.76 GPR119 (0.58) GPR119THRB
SCHEMBL5280650 0.75 RAB9A (0.45) TP53LMNA

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 GPR119 1328/4885DNMT3A 120/4885TP53 2551/4885

“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.