SCHEMBL5281158

SCHEMBL5281158

COC(=O)C1CN(CCCCNC(=O)COCc2ccc(F)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.41
RAB9A P51151 1/20 0.41
DRD2 P14416 7/20 0.40
DRD4 P21917 7/20 0.40
DRD3 P35462 6/20 0.40
CCR1 P32246 1/20 0.40
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
S1PR5 Q9H228 1/20 0.39
CCR3 P51677 1/20 0.38
CCR2 P41597 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 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
SCHEMBL5284939 0.76 KMT2A (0.42) CCR5DRD2HTR1ALMNAKMT2A
SCHEMBL5280483 0.75 RAB9A (0.48) RAB9ALMNAKMT2A
SCHEMBL6037902 0.74 RAB9A (0.50) RAB9ALMNAKMT2A
SCHEMBL5281177 0.74 DPP4 (0.49) HTR1A
SCHEMBL5281181 0.74 DPP4 (0.49) HTR1A
SCHEMBL5286752 0.74 RAB9A (0.47) RAB9ALMNAKMT2A
SCHEMBL5287408 0.74 RAB9A (0.47) RAB9ALMNAKMT2A
SCHEMBL5282279 0.73 ITGB3 (0.47) RAB9ALMNAKMT2A
SCHEMBL5287840 0.72 NAMPT (0.41) RAB9A
SCHEMBL5287584 0.72 RAB9A (0.45) RAB9ALMNAKMT2A

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 CCR5 4488/4885RAB9A 2884/4885DRD2 2860/4885

“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.