SCHEMBL4255445

SCHEMBL4255445

CC(C)(C)OC(=O)NC1CCC(NC(=O)c2ccc(F)c(F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.54
TAS1R1 Q7RTX1 2/20 0.54
TAS1R2 Q8TE23 2/20 0.54
MCHR1 Q99705 8/20 0.54
DPP4 P27487 4/20 0.50
KCNH2 Q12809 4/20 0.50
DPP7 Q9UHL4 4/20 0.50
AR P10275 2/20 0.48
CYP2C9 P11712 1/20 0.47
MAPK14 Q16539 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
HTR2B P41595 1/20 0.47
NPY5R Q15761 1/20 0.47
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
HPGDS O60760 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL4255449 1.00 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2MCHR1DPP4
SCHEMBL4257295 0.87 MAPK14 (0.57) TAS1R3TAS1R1TAS1R2MCHR1AR
SCHEMBL4257302 0.87 MAPK14 (0.57) TAS1R3TAS1R1TAS1R2MCHR1AR
SCHEMBL24512806 0.85 NPC1 (0.60) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
SCHEMBL4167585 0.85 NPC1 (0.60) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
SCHEMBL5670790 0.85 TAS1R3 (0.69) TAS1R3TAS1R1TAS1R2
SCHEMBL531986 0.85 MCHR1 (0.64) TAS1R3TAS1R1TAS1R2MCHR1DPP4
SCHEMBL31206154 0.83 NPC1 (0.48) MCHR1KDM1AMAOB
SCHEMBL21492775 0.82 BTK (0.46) TAS1R3TAS1R1TAS1R2MCHR1CYP2C9
SCHEMBL21492774 0.82 BTK (0.46) TAS1R3TAS1R1TAS1R2MCHR1CYP2C9

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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
EP-1730122-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-12-13 EP disclosed
WO-2005095357-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 TAS1R3 1598/4885TAS1R1 963/4885TAS1R2 968/4885

“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.