SCHEMBL4465307

SCHEMBL4465307

O=C(c1cc2c(cc1F)OC(c1ccc(F)cc1)(c1ccc(Cl)cc1Cl)O2)N1CCC(O)C1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.75
DRD5 P21918 1/20 0.74
SLC6A2 P23975 1/20 0.74
HTR2A P28223 1/20 0.74
HTR2C P28335 1/20 0.74
GPR183 P32249 1/20 0.74
OPRM1 P35372 1/20 0.74
OPRK1 P41145 1/20 0.74
HTR2B P41595 1/20 0.74
SLC6A3 Q01959 1/20 0.74
TMEM97 Q5BJF2 1/20 0.74
GPR119 Q8TDV5 1/20 0.74
GPR35 Q9HC97 1/20 0.74
CCR1 P32246 1/20 0.42
KCNH2 Q12809 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4462612 1.00 CNR1 (0.75) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4465311 1.00 CNR1 (0.75) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4465500 0.93 CNR1 (0.64) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4468075 0.90 CNR1 (0.84) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4467019 0.90 CNR1 (0.79) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4456971 0.88 CNR1 (0.71) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4456966 0.88 CNR1 (0.71) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4460829 0.87 CNR1 (0.98) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4463907 0.87 CNR1 (0.94) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL4463591 0.86 CNR1 (0.69) 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
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
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.