SCHEMBL3205498

SCHEMBL3205498

COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.49
NR1H2 P55055 2/20 0.45
LIPE Q05469 1/20 0.44
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
SLC6A3 Q01959 1/20 0.43
ESR2 Q92731 1/20 0.41
ABHD6 Q9BV23 2/20 0.41
MAPT P10636 2/20 0.41
ABCB1 P08183 1/20 0.41
SLC6A2 P23975 1/20 0.40
KDM4E B2RXH2 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KCNH2 Q12809 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
SCHEMBL951478 0.88 NR1H2 (0.47) NR1H2CHRM2CHRM4CHRM5CHRM1
SCHEMBL1750511 0.86 ESR2 (0.53) NR1H2CHRM2CHRM4CHRM5CHRM1
SCHEMBL3197517 0.85 SLC6A3 (0.54) NR1H2CHRM2CHRM4CHRM5CHRM1
SCHEMBL6418231 0.85 CHRM5 (0.59) GPR119NR1H2CHRM2CHRM4CHRM5
SCHEMBL1751193 0.85 NR1H2 (0.43) NR1H2CHRM2CHRM4CHRM5CHRM1
SCHEMBL5941814 0.85 CHRM5 (0.45) GPR119NR1H2CHRM2CHRM4CHRM5
SCHEMBL9350724 0.83 GPR119 (0.47) GPR119NR1H2CHRM2CHRM4CHRM5
SCHEMBL3197302 0.83 GPR119 (0.49) GPR119NR1H2LIPEESR2ABHD6
SCHEMBL1750649 0.82 CHRM5 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8252006 0.82 SLC6A3 (0.58) NR1H2CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691893-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-7691893-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-7691893-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE BERTANI BARBARA 2010-02-11 US disclosed
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE BERTANI BARBARA 2010-02-11 US disclosed
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE BERTANI BARBARA 2010-02-11 US disclosed
EP-2064186-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE Glaxo Group Limited (GB) 2009-06-03 EP disclosed
US-20080114049-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-05-15 US disclosed
US-20080114049-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-05-15 US disclosed
US-20080114049-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-05-15 US disclosed
WO-2008031772-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE GLAXO GROUP LIMITED (GB) 2008-03-20 WO disclosed
WO-2008031772-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE GLAXO GROUP LIMITED (GB) 2008-03-20 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 (2 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-20080114049-A1 CHEMICAL COMPOUNDS SLC6A2, HTR3C, SLC6A3 GPR119 576/4885NR1H2 1730/4885LIPE 1883/4885
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE SLC6A2, NPY5R, SLC6A3 GPR119 1489/4885NR1H2 305/4885LIPE 3463/4885

“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.