SCHEMBL3215088

SCHEMBL3215088

O=C(c1cc2c(cc1F)O[C@](c1ccccc1F)(c1ccc(Cl)cc1Cl)O2)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 18/20 1.00
DRD5 P21918 1/20 0.76
SLC6A2 P23975 1/20 0.76
HTR2A P28223 1/20 0.76
HTR2C P28335 1/20 0.76
GPR183 P32249 1/20 0.76
OPRM1 P35372 1/20 0.76
OPRK1 P41145 1/20 0.76
HTR2B P41595 1/20 0.76
SLC6A3 Q01959 1/20 0.76
TMEM97 Q5BJF2 1/20 0.76
GPR119 Q8TDV5 1/20 0.76
GPR35 Q9HC97 1/20 0.76
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL3217648 1.00 CNR1 (1.00) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL3217879 1.00 CNR1 (1.00) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4459780 0.94 CNR1 (0.88) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4460020 0.90 CNR1 (0.80) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4460013 0.89 CNR1 (0.79) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL3224627 0.88 CNR1 (0.92) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL3211855 0.88 CNR1 (0.92) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL3218625 0.88 CNR1 (0.92) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL29618950 0.86 CNR1 (1.00) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL3215272 0.86 CNR1 (1.00) CNR1DRD5SLC6A2HTR2AHTR2C

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
EP-1896445-B1 ( 6-FLU0R0-BENZ0[l, 3] DIOXOLYL) -MORPHOLIN-4-YL-METHANONES AND THEIR USE AS CBl LIGANDS HOFFMANN LA ROCHE (CH) 2010-11-10 EP claimed
US-20100056513-A1 STEREOSPECIFICALLY SUBSTITUTED BENZO[1,3]DIOXOLYL DERIVATIVES FREI BEAT 2010-03-04 US claimed
EP-1896445-A1 ( 6-FLU0R0-BENZ0[l, 3] DIOXOLYL) -MORPHOLIN-4-YL-METHANONES AND THEIR USE AS CBl LIGANDS F. Hoffmann-Roche AG (CH) 2008-03-12 EP claimed
WO-2006136502-A1 ( 6-FLU0R0-BENZ0[l, 3] DIOXOLYL) -MORPHOLIN-4-YL-METHANONES AND THEIR USE AS CBl LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-28 WO claimed
US-20060293318-A1 Stereospecifically substituted benzo[1,3]dioxolyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-12-28 US claimed
EP-1896445-B1 ( 6-FLU0R0-BENZ0[l, 3] DIOXOLYL) -MORPHOLIN-4-YL-METHANONES AND THEIR USE AS CBl LIGANDS HOFFMANN LA ROCHE (CH) 2010-11-10 EP disclosed
US-20100056513-A1 STEREOSPECIFICALLY SUBSTITUTED BENZO[1,3]DIOXOLYL DERIVATIVES FREI BEAT 2010-03-04 US disclosed
EP-1896445-A1 ( 6-FLU0R0-BENZ0[l, 3] DIOXOLYL) -MORPHOLIN-4-YL-METHANONES AND THEIR USE AS CBl LIGANDS F. Hoffmann-Roche AG (CH) 2008-03-12 EP disclosed
WO-2006136502-A1 ( 6-FLU0R0-BENZ0[l, 3] DIOXOLYL) -MORPHOLIN-4-YL-METHANONES AND THEIR USE AS CBl LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-28 WO disclosed
US-20060293318-A1 Stereospecifically substituted benzo[1,3]dioxolyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-12-28 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 (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-20060293318-A1 Stereospecifically substituted benzo[1,3]dioxolyl derivatives CNR1, CNR2, NPY1R CNR1 1/4885DRD5 263/4885SLC6A2 774/4885
US-20100056513-A1 STEREOSPECIFICALLY SUBSTITUTED BENZO[1,3]DIOXOLYL DERIVATIVES CNR1, CNR2, NPY1R CNR1 1/4885DRD5 263/4885SLC6A2 774/4885

“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.