SCHEMBL3194341

SCHEMBL3194341

COC(=O)C1=C(c2ccc3ccccc3c2)CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.55
SLC6A3 Q01959 3/20 0.55
CHRM5 P08912 4/20 0.48
CHRM1 P11229 4/20 0.48
CHRM2 P08172 3/20 0.48
CHRM4 P08173 3/20 0.48
CHRM3 P20309 3/20 0.48
TMEM97 Q5BJF2 4/20 0.46
SIGMAR1 Q99720 4/20 0.46
DHFR P00374 1/20 0.45
PTGDR2 Q9Y5Y4 6/20 0.44
SLC6A4 P31645 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL12617460 0.87 CHRM5 (0.52) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL3197414 0.82 TMEM97 (0.48) CHRM5CHRM4TMEM97SIGMAR1DHFR
SCHEMBL8252006 0.82 SLC6A3 (0.58) SLC6A2SLC6A3CHRM5CHRM1CHRM2
SCHEMBL3210652 0.82 PTGDR2 (0.49) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL23166225 0.79 SMN1; SMN2 (0.52) TMEM97SIGMAR1DHFRPTGDR2NPC1
SCHEMBL12618060 0.77 PPARA (0.71)
SCHEMBL1750649 0.77 CHRM5 (0.48) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL13547247 0.75 SMN1; SMN2 (0.55) TMEM97SIGMAR1PTGDR2NPC1RAB9A
SCHEMBL13382410 0.72 TMEM97 (0.46) TMEM97SIGMAR1DHFRPTGDR2NPC1
SCHEMBL6415911 0.72 CHRM5 (0.67) SLC6A2SLC6A3CHRM5CHRM1CHRM2

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 SLC6A2 1/4885SLC6A3 3/4885CHRM5 146/4885
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE SLC6A2, NPY5R, SLC6A3 SLC6A2 1/4885SLC6A3 3/4885CHRM5 17/4885

“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.