SCHEMBL4466396

SCHEMBL4466396

COc1cccc(C2(c3cccc(OC)c3)Oc3cc(F)c(C(=O)N4CCOCC4)cc3O2)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.72
L3MBTL1 Q9Y468 1/20 0.55
DRD5 P21918 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
GPR183 P32249 1/20 0.52
OPRM1 P35372 1/20 0.52
OPRK1 P41145 1/20 0.52
HTR2B P41595 1/20 0.52
SLC6A3 Q01959 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
GPR119 Q8TDV5 1/20 0.52
GPR35 Q9HC97 1/20 0.52
CPS1 P31327 2/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 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
SCHEMBL4470174 0.86 CNR1 (0.80) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL2826256 0.84 CNR1 (1.00) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4462815 0.84 CNR1 (0.77) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4459702 0.84 CNR1 (0.77) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4460314 0.81 CNR1 (0.80) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4468441 0.81 CNR1 (0.91) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4471419 0.80 CNR1 (0.82) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4470633 0.80 CNR1 (1.00) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4464687 0.80 CNR1 (0.69) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL3374563 0.78 CNR1 (0.82) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP claimed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US claimed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US claimed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP claimed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US claimed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 WO claimed
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 CNR1 2/4885L3MBTL1 4661/4885DRD5 352/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885L3MBTL1 4560/4885DRD5 542/4885

“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.