SCHEMBL4463071

SCHEMBL4463071

O=C(c1cc(Br)c2c(c1Cl)OC(c1ccccc1)(c1ccccc1)O2)N1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.65
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA13 Q8N1Q1 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CA1 P00915 1/20 0.42
CA3 P07451 1/20 0.42
CA5A P35218 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
SCHEMBL4462769 0.90 CNR1 (0.57) CNR1TSHRGAASMN1; SMN2KMT2A
SCHEMBL4464050 0.89 CNR1 (0.69) CNR1MAPTTSHRHTTGAA
SCHEMBL4462150 0.88 CNR1 (0.50) CNR1MAPTTSHRSMN1; SMN2KDM4E
SCHEMBL4480861 0.79 CNR1 (1.00) CNR1TSHRGAASMN1; SMN2HPGD
SCHEMBL4456958 0.78 CNR1 (0.59) CNR1TSHRKMT2AHPGD
SCHEMBL4462594 0.78 CNR1 (1.00) CNR1MAPTTSHRHTTKDM4E
SCHEMBL14256885 0.77 CNR1 (0.54) CNR1MAPTTSHRHTTGAA
SCHEMBL4457216 0.76 CNR1 (0.53) CNR1TSHRHTTSMN1; SMN2KDM4E
SCHEMBL9142237 0.75 MAPT (0.38) CNR1MAPTGAAKDM4EKMT2A
SCHEMBL4467375 0.75 KDM4E (0.39) CNR1MAPTTSHRHTTGAA

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 15 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
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 2/4885MAPT 4230/4885TSHR 1029/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885MAPT 4527/4885TSHR 1171/4885

“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.