SCHEMBL836486

SCHEMBL836486

COc1cccc([C@H](O)[C@H](C)N(C(=O)O)C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TRPM8 Q7Z2W7 2/20 0.43
NPY5R Q15761 2/20 0.43
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
GPR139 Q6DWJ6 3/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
ACHE P22303 1/20 0.40

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
SCHEMBL836485 1.00 AOC3 (0.46) AOC3L3MBTL1TRPM8NPY5RHTR1A
SCHEMBL836811 0.83 NPY5R (0.49) NPY5R
SCHEMBL837657 0.82 ACP3 (0.40) AOC3TRPM8NPY5RGPR139
SCHEMBL5065151 0.81 KDM4E (0.55) AOC3NPY5RADRA2ASLC6A4
SCHEMBL5065158 0.81 KDM4E (0.55) AOC3NPY5RADRA2ASLC6A4
SCHEMBL14908702 0.81 KDM4E (0.55) AOC3NPY5RADRA2ASLC6A4
SCHEMBL835711 0.78 UGT2B7 (0.49) AOC3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL23309858 0.77 GPR139 (0.48) GPR139POLB
SCHEMBL23309862 0.77 GPR139 (0.48) GPR139POLB
SCHEMBL1529070 0.77 CASR (0.49) AOC3L3MBTL1TRPM8HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US 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 (4 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 AOC3 2843/4885L3MBTL1 4885/4885TRPM8 730/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 AOC3 2843/4885L3MBTL1 4885/4885TRPM8 730/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 AOC3 2843/4885L3MBTL1 4885/4885TRPM8 730/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 AOC3 2843/4885L3MBTL1 4885/4885TRPM8 730/4885

“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.