SCHEMBL836189

SCHEMBL836189

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
DRD1 P21728 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRM1 P35372 1/20 0.54
DRD3 P35462 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KCNH2 Q12809 1/20 0.54
GPR139 Q6DWJ6 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.50
NPY5R Q15761 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
AOC3 Q16853 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL836188 1.00 HTR1A (0.54) HTR1AADRA2ADRD1SLC6A2SLC6A4
SCHEMBL4596146 0.83 L3MBTL1 (0.48) HTR1AADRA2ADRD1SLC6A2SLC6A4
SCHEMBL30695647 0.82 HTR1A (0.46) HTR1AADRA2ADRD1SLC6A2SLC6A4
SCHEMBL851209 0.82 HTR1A (0.46) HTR1AADRA2ADRD1SLC6A2SLC6A4
SCHEMBL12937977 0.82 HTR1A (0.46) HTR1AADRA2ADRD1SLC6A2SLC6A4
SCHEMBL3018939 0.81 ACP3 (0.45) SLC6A4ADRA1AGPR139POLBNPY5R
SCHEMBL3014291 0.81 NPY5R (0.49) HTR1AADRA2ADRD1SLC6A2SLC6A4
SCHEMBL3014293 0.81 NPY5R (0.49) HTR1AADRA2ADRD1SLC6A2SLC6A4
SCHEMBL3018937 0.81 ACP3 (0.45) SLC6A4ADRA1AGPR139POLBNPY5R
SCHEMBL19975546 0.81 NPY5R (0.49) HTR1AADRA2ADRD1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029560-B1 1,3-OXAZOLIDIN-2-ONE DERIVATIVES USEEFUL AS CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-04-24 EP 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-20090137548-A1 1,3-Oxazolidin-2-One Derivatives Useful as Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-05-28 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 (1 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-20090137548-A1 1,3-Oxazolidin-2-One Derivatives Useful as Cetp Inhibitors CETP, MTTP, APOB HTR1A 3986/4885ADRA2A 3491/4885DRD1 3783/4885

“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.