SCHEMBL1044700

SCHEMBL1044700

OCC1COc2cc(F)c(F)cc2O1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
PRKAB2 O43741 2/20 0.37
PRKAG1 P54619 2/20 0.37
PRKAA2 P54646 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAG3 Q9UGI9 2/20 0.37
PRKAG2 Q9UGJ0 2/20 0.37
PRKAB1 Q9Y478 2/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
DRD2 P14416 1/20 0.36
HTR1A P08908 1/20 0.35
ALOX5 P09917 3/20 0.35
ADRA1A P35348 1/20 0.35
FFAR1 O14842 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL15864966 1.00 CA2 (0.38) CA2L3MBTL1MAPK1PRKAB2PRKAG1
SCHEMBL8131205 0.81 CA2 (0.55) CA2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL440779 0.81 CA2 (0.55) CA2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL29481769 0.81 CA2 (0.51) CA2DRD2HTR1AALOX5FFAR1
SCHEMBL1043944 0.81 CA2 (0.51) CA2DRD2HTR1AALOX5FFAR1
SCHEMBL29444757 0.81 CA2 (0.51) CA2DRD2HTR1AALOX5FFAR1
SCHEMBL1043824 0.81 CA2 (0.51) CA2DRD2HTR1AALOX5FFAR1
SCHEMBL15865330 0.81 CA2 (0.58) CA2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8480609 0.81 CA2 (0.58) CA2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL22222229 0.80 MTNR1A (0.42) CA2L3MBTL1MAPK1PRKAB2PRKAG1

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
EP-2941427-B1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS PF MEDICAMENT (FR) 2016-11-09 EP disclosed
US-20150336943-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS FOR TREATING NEUROPSYCHIATRIC DISORDERS PIERRE FABRE MEDICAMENT (FR) 2015-11-26 US disclosed
EP-2941427-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS Pierre Fabre Médicament (FR) 2015-11-11 EP disclosed
WO-2014106660-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS PIERRE FABRE MEDICAMENT (FR) 2014-07-10 WO disclosed
US-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US disclosed
EP-2271635-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
WO-2009133109-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 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-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 CA2 3728/4885L3MBTL1 4244/4885MAPK1 2258/4885
US-20150336943-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS FOR TREATING NEUROPSYCHIATRIC DISORDERS HCRTR1, HCRTR2, OXSR1 CA2 4017/4885L3MBTL1 1697/4885MAPK1 1464/4885

“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.