SCHEMBL10028043

SCHEMBL10028043

CN(CCCO)CCc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
CYP17A1 P05093 2/20 0.48
HRH3 Q9Y5N1 1/20 0.46
LTA4H P09960 1/20 0.44
NAMPT P43490 3/20 0.44
GLS O94925 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
MAPK14 Q16539 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL2065025 0.86 CYP3A4 (0.44) DRD2CYP17A1GLSHDAC3HDAC8
SCHEMBL6404856 0.85 CYP17A1 (0.56) DRD2CYP17A1NAMPTGLSPTGDR2
SCHEMBL1314199 0.84 CYP17A1 (0.54) DRD2CYP17A1NAMPTGLSPTGDR2
SCHEMBL2244813 0.82 CYP17A1 (0.58) DRD2CYP17A1NAMPTGLSPTGDR2
SCHEMBL15014088 0.77 NPC1 (0.62) DRD2CYP17A1GLSPTGDR2
SCHEMBL16246084 0.77 CYP17A1 (0.58) DRD2CYP17A1NAMPTGLSPTGDR2
SCHEMBL12677009 0.77 CYP17A1 (0.58) DRD2CYP17A1NAMPTGLSPTGDR2
SCHEMBL27493682 0.77 CYP17A1 (0.58) DRD2CYP17A1NAMPTGLSPTGDR2
SCHEMBL245094 0.76 CYP17A1 (0.61) DRD2CYP17A1NAMPTGLSPTGDR2
SCHEMBL13181089 0.76 HPGD (0.57) DRD2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140127130-A1 Radiofluorinated compounds and their preparation HAMMERSMITH IMANET LIMITED (GB) 2014-05-08 US disclosed
US-8629299-B2 Radiofluorinated compounds and their preparation HAMMERSMITH IMANET LIMITED (GB) 2014-01-14 US disclosed
US-20130259802-A1 RADIOFLUORINATED COMPOUNDS AND THEIR PREPARATION HAMMERSMITH IMANET LIMITED (GB) 2013-10-03 US disclosed
US-8445721-B2 Radiofluorinated compounds and their preparation HAMMERSMITH IMANET LIMITED (GB) 2013-05-21 US disclosed
US-20120171117-A1 RADIOFLUORINATED COMPOUNDS AND THEIR PREPARATION HAMMERSMITH IMANET LIMITED (GB) 2012-07-05 US disclosed
US-8148575-B2 Radiofluorinated compounds and their preparation HAMMERSMITH IMANET LIMITED (GB) 2012-04-03 US disclosed
US-20090087379-A1 Radiofluorinated Compounds and their Preparation HAMMERSMITH IMANET LIMITED (GB) 2009-04-02 US disclosed
WO-2007122488-A2 RADIOFLUORINATED COMPOUNDS AND THEIR PREPARATION HAMMERSMITH IMANET LIMITED (GB) 2007-11-01 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 (4 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-20090087379-A1 Radiofluorinated Compounds and their Preparation PSMA5, MPI, PSMA3 DRD2 4574/4885CYP17A1 3845/4885HRH3 3579/4885
US-20120171117-A1 RADIOFLUORINATED COMPOUNDS AND THEIR PREPARATION PSMA5, MPI, PSMA3 DRD2 4574/4885CYP17A1 3845/4885HRH3 3579/4885
US-20140127130-A1 Radiofluorinated compounds and their preparation PSMA5, MPI, PSMA3 DRD2 4574/4885CYP17A1 3845/4885HRH3 3579/4885
US-20130259802-A1 RADIOFLUORINATED COMPOUNDS AND THEIR PREPARATION PSMA5, MPI, PSMA3 DRD2 4574/4885CYP17A1 3845/4885HRH3 3579/4885

“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.