SCHEMBL3210586

SCHEMBL3210586

COCC1=C(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.48
NR1H2 P55055 1/20 0.42
SLC6A3 Q01959 9/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 3/20 0.38
KMO O15229 1/20 0.38

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
SCHEMBL3184176 0.89 ESR2 (0.47) ESR2NR1H2SLC6A3SLC6A2SLC6A4
SCHEMBL3199018 0.88 ESR2 (0.48) ESR2NR1H2
SCHEMBL3990735 0.83 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4
SCHEMBL3194232 0.82 SLC6A3 (0.57) ESR2NR1H2SLC6A3SLC6A2SLC6A4
SCHEMBL8355563 0.79 ESR2 (0.53) ESR2NR1H2SLC6A3
SCHEMBL3197591 0.79 SLC6A3 (0.55) ESR2NR1H2SLC6A3SLC6A2SLC6A4
SCHEMBL4756289 0.77 SLC6A3 (0.53) ESR2NR1H2SLC6A3SLC6A2SLC6A4
SCHEMBL22325181 0.77 MEN1 (0.50) ESR2NR1H2
SCHEMBL3206164 0.77 MEN1 (0.47) ESR2NR1H2
SCHEMBL19167219 0.74 MAPT (0.50) ESR2NR1H2

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 5 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-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
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 ESR2 2388/4885NR1H2 1730/4885SLC6A3 3/4885
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE SLC6A2, NPY5R, SLC6A3 ESR2 2047/4885NR1H2 305/4885SLC6A3 3/4885

“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.