SCHEMBL4480083

SCHEMBL4480083

O=C(c1cc2c(cc1Cl)OC(c1ccc(F)cc1F)(c1ccc(F)cc1F)O2)N1CCOCC1

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.85
DRD5 P21918 1/20 0.66
SLC6A2 P23975 1/20 0.66
HTR2A P28223 1/20 0.66
HTR2C P28335 1/20 0.66
GPR183 P32249 1/20 0.66
OPRM1 P35372 1/20 0.66
OPRK1 P41145 1/20 0.66
HTR2B P41595 1/20 0.66
SLC6A3 Q01959 1/20 0.66
TMEM97 Q5BJF2 1/20 0.66
GPR119 Q8TDV5 1/20 0.66
GPR35 Q9HC97 1/20 0.66
MAPT P10636 1/20 0.60
TSHR P16473 1/20 0.60
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.48

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
SCHEMBL4467262 0.92 CNR1 (0.72) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4459553 0.92 CNR1 (1.00) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4462799 0.89 CNR1 (0.81) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4467456 0.83 CNR1 (0.76) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4460138 0.83 CNR1 (0.83) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4464695 0.82 CNR1 (0.98) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL3369670 0.82 CNR1 (0.81) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4459780 0.82 CNR1 (0.88) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4471446 0.82 CNR1 (0.81) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4462977 0.81 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 13 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
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US 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
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 2/4885DRD5 352/4885SLC6A2 1634/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885DRD5 542/4885SLC6A2 2020/4885

“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.