SCHEMBL21096772

SCHEMBL21096772

OC[C@H]1OC[C@@H](OCc2ccccc2)[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.62
PDE4D Q08499 1/20 0.51
BCHE P06276 1/20 0.46
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADORA2A P29274 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
SCHEMBL12516420 1.00 SLC6A2 (0.62) SLC6A2PDE4DBCHEPRKAG1PRKAA2
SCHEMBL2220309 1.00 SLC6A2 (0.62) SLC6A2PDE4DBCHEPRKAG1PRKAA2
SCHEMBL13793171 0.95 SLC6A2 (0.68) SLC6A2PDE4DBCHEADORA2A
SCHEMBL3917713 0.95 SLC6A2 (0.68) SLC6A2PDE4DBCHEADORA2A
SCHEMBL12803755 0.92 SLC6A2 (0.55) SLC6A2PDE4DPRKAG1PRKAA2PRKAB1
SCHEMBL19145004 0.90 SLC6A2 (0.69) SLC6A2PDE4DBCHETSHRCYP2C19
SCHEMBL12803420 0.85 SLC6A2 (0.48) SLC6A2PDE4DPRKAG1PRKAA2PRKAB1
SCHEMBL2223610 0.85 SLC6A2 (0.48) SLC6A2PDE4DADORA2A
SCHEMBL24894599 0.84 SLC6A2 (0.58) SLC6A2PDE4DBCHETSHRCYP2C19
SCHEMBL22710225 0.84 SLC6A2 (0.58) SLC6A2PDE4DBCHETSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10478425-B2 5-phenylazaindole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2019-11-19 US disclosed
US-10406140-B2 5-substituted benzimidazole and 5-substituted azabenzimidazole derivative both having AMPK activation effect SHIONOGI & CO., LTD. (JP) 2019-09-10 US disclosed
US-20190183866-A1 5-SUBSTITUTED BENZIMIDAZOLE AND 5-SUBSTITUTED AZABENZIMIDAZOLE DERIVATIVE BOTH HAVING AMPK ACTIVATION EFFECT SHIONOGI & CO., LTD. (JP) 2019-06-20 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-20190183866-A1 5-SUBSTITUTED BENZIMIDAZOLE AND 5-SUBSTITUTED AZABENZIMIDAZOLE DERIVATIVE BOTH HAVING AMPK ACTIVATION EFFECT PRKAG2, PRKAB2, PRKAG1 SLC6A2 4656/4885PDE4D 201/4885BCHE 3233/4885
US-10406140-B2 5-substituted benzimidazole and 5-substituted azabenzimidazole derivative both having AMPK activation effect PRKAG2, PRKAB2, PRKAG1 SLC6A2 4656/4885PDE4D 201/4885BCHE 3233/4885
US-10478425-B2 5-phenylazaindole derivative having AMPK-activating activity PRKAG2, PRKAG1, PRKAB2 SLC6A2 4754/4885PDE4D 315/4885BCHE 2714/4885

“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.