SCHEMBL3194232

SCHEMBL3194232

COC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.57
SLC6A2 P23975 5/20 0.57
ESR2 Q92731 1/20 0.46
SLC6A4 P31645 4/20 0.46
NR1H2 P55055 2/20 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
SCHEMBL3197591 0.89 SLC6A3 (0.55) SLC6A3SLC6A2ESR2SLC6A4NR1H2
SCHEMBL3197517 0.88 SLC6A3 (0.54) SLC6A3SLC6A2ESR2NR1H2
SCHEMBL7052243 0.86 SLC6A3 (0.58) SLC6A3SLC6A2ESR2SLC6A4NR1H2
SCHEMBL1750511 0.84 ESR2 (0.53) SLC6A3SLC6A2ESR2SLC6A4NR1H2
SCHEMBL8252006 0.84 SLC6A3 (0.58) SLC6A3SLC6A2ESR2SLC6A4NR1H2
SCHEMBL13484448 0.84 SLC6A3 (0.56) SLC6A3SLC6A2SLC6A4
SCHEMBL951478 0.83 NR1H2 (0.47) SLC6A3SLC6A2ESR2SLC6A4NR1H2
SCHEMBL6418231 0.83 CHRM5 (0.59) SLC6A3SLC6A2ESR2SLC6A4NR1H2
SCHEMBL8253723 0.83 ESR2 (0.52) SLC6A3SLC6A2ESR2SLC6A4NR1H2
SCHEMBL8261717 0.83 CHRM2 (0.51) SLC6A3SLC6A2ESR2SLC6A4NR1H2

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 11 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
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 SLC6A3 3/4885SLC6A2 1/4885ESR2 2388/4885
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE SLC6A2, NPY5R, SLC6A3 SLC6A3 3/4885SLC6A2 1/4885ESR2 2047/4885

“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.