SCHEMBL3326902

SCHEMBL3326902

OC[C@@H]1c2ccccc2C[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
ANPEP P15144 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KDM1A O60341 3/20 0.36

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
SCHEMBL13299010 1.00 OPRM1 (0.38) OPRM1ANPEPGRIN2DGRIN3BGRIN1
SCHEMBL464668 0.82 SIGMAR1 (0.39) OPRM1ANPEP
SCHEMBL22768719 0.82 SIGMAR1 (0.39) OPRM1ANPEP
SCHEMBL16770603 0.82 SIGMAR1 (0.39) OPRM1ANPEP
SCHEMBL16770602 0.82 SIGMAR1 (0.39) OPRM1ANPEP
SCHEMBL13616986 0.82 SIGMAR1 (0.39) OPRM1ANPEP
SCHEMBL24821527 0.79 SHBG (0.41) OPRM1
SCHEMBL7333872 0.78 KDM1A (0.43) OPRM1KDM1A
SCHEMBL7333878 0.78 KDM1A (0.43) OPRM1KDM1A
SCHEMBL8654518 0.78 KDM1A (0.43) OPRM1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137397-A1 Chemical Compounds ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-20100137397-A1 Chemical Compounds ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-20100137397-A1 Chemical Compounds ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-20090124682-A1 Indan-Amide Derivatives with Glycogen Phosphorylase Inhibitory Activity BIRCH ALAN MARTIN 2009-05-14 US disclosed
US-20090124682-A1 Indan-Amide Derivatives with Glycogen Phosphorylase Inhibitory Activity BIRCH ALAN MARTIN 2009-05-14 US disclosed
US-20090124682-A1 Indan-Amide Derivatives with Glycogen Phosphorylase Inhibitory Activity BIRCH ALAN MARTIN 2009-05-14 US disclosed
EP-1658067-B1 INDOLAMIDE DERIVATIVES WHICH POSSESS GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2008-11-12 EP disclosed
EP-1658069-B1 HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSESS GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
US-20080064691-A1 Heterocyclic Amide Derivatives Which Possess Glycogen Phosphorylase Inhibitory Activity ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064691-A1 Heterocyclic Amide Derivatives Which Possess Glycogen Phosphorylase Inhibitory Activity ASTRAZENECA AB (SE) 2008-03-13 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 (3 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-20100137397-A1 Chemical Compounds PYGL, PYGM, GYS2 OPRM1 4416/4885ANPEP 856/4885GRIN2D 4189/4885
US-20080064691-A1 Heterocyclic Amide Derivatives Which Possess Glycogen Phosphorylase Inhibitory Activity PYGL, PYGM, GYS1 OPRM1 816/4885ANPEP 999/4885GRIN2D 2812/4885
US-20090124682-A1 Indan-Amide Derivatives with Glycogen Phosphorylase Inhibitory Activity PYGL, PYGM, GYS1 OPRM1 4290/4885ANPEP 124/4885GRIN2D 3683/4885

“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.