SCHEMBL3298530

SCHEMBL3298530

CC(C)OC(=O)C1CCC(c2ccc(N)c(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC3 O15379 1/20 0.36
SLC6A3 Q01959 2/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
ITGA5 P08648 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
SLC6A4 P31645 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
TSHR P16473 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 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
SCHEMBL3298523 1.00 HDAC1 (0.36) HDAC1HDAC2HDAC3SLC6A3CHRNA1
SCHEMBL14113400 1.00 HDAC1 (0.36) HDAC1HDAC2HDAC3SLC6A3CHRNA1
SCHEMBL14113536 0.85 SLC6A3 (0.42) HDAC1HDAC2HDAC3SLC6A3SLC6A2
SCHEMBL3298642 0.85 SLC6A3 (0.42) HDAC1HDAC2HDAC3SLC6A3SLC6A2
SCHEMBL3298645 0.85 SLC6A3 (0.42) HDAC1HDAC2HDAC3SLC6A3SLC6A2
SCHEMBL3001844 0.82 LGMN (0.49) TSHR
SCHEMBL13247979 0.82 LGMN (0.49) TSHR
SCHEMBL13247977 0.82 HRH3 (0.41) HDAC1HDAC2HDAC3HDAC6PDE4A
SCHEMBL3001843 0.82 LGMN (0.49) TSHR
SCHEMBL13267819 0.82 HDAC1 (0.36) HDAC1HDAC2HDAC3HDAC6PDE4A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093733-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES PROSIDION LIMITED (GB) 2010-04-15 US disclosed
EP-2120911-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES Prosidion Limited (GB) 2009-11-25 EP disclosed
WO-2008099221-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES PROSIDION LIMITED (GB) 2008-08-21 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-20100093733-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES CPS1, GOT2, GPR119 HDAC1 233/4885HDAC2 312/4885HDAC3 237/4885

“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.