SCHEMBL3194845

SCHEMBL3194845

COC(=O)C1(C(=O)OC)CC1(CCOS(C)(=O)=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
SLC6A2 P23975 2/20 0.37
CCR2 P41597 2/20 0.35
HPGD P15428 1/20 0.34
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL13382449 1.00 OPRM1 (0.38) OPRM1SLC6A4SLC6A3SLC6A2CCR2
SCHEMBL3192673 0.88 CCR2 (0.37) OPRM1SLC6A4SLC6A3SLC6A2CCR2
SCHEMBL3197376 0.88 CCR2 (0.37) OPRM1SLC6A4SLC6A3SLC6A2CCR2
SCHEMBL3185532 0.88 CCR2 (0.37) OPRM1SLC6A4SLC6A3SLC6A2CCR2
SCHEMBL3200960 0.77 OPRM1 (0.39) OPRM1SLC6A4SLC6A3SLC6A2
SCHEMBL3207678 0.76 CYP3A4 (0.36) OPRM1SLC6A4SLC6A3SLC6A2
SCHEMBL3207499 0.68 HTR1A (0.37)
SCHEMBL8355602 0.68 TACR2 (0.63)
SCHEMBL3195997 0.67 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2TSHRLMNA
SCHEMBL13039472 0.67 SLC6A2 (0.64) SLC6A4SLC6A3SLC6A2

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 13 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
WO-2009109608-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-09-11 WO 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 OPRM1 78/4885SLC6A4 11/4885SLC6A3 3/4885
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE SLC6A2, NPY5R, SLC6A3 OPRM1 63/4885SLC6A4 14/4885SLC6A3 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.