SCHEMBL4459614

SCHEMBL4459614

Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OC(c3ccccc3)(c3ccccc3)O4)CC2)c1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.64
MAPT P10636 6/20 0.54
HTT P42858 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 1/20 0.54
THRB P10828 1/20 0.53
LMNA P02545 4/20 0.51
MCOLN3 Q8TDD5 1/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 1/20 0.51
TP53 P04637 2/20 0.51
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
USP2 O75604 1/20 0.49
CREBBP Q92793 1/20 0.49
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
FGB P02675 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
SCHEMBL4460888 0.86 CNR1 (0.71) CNR1MAPTHTTLMNAMCOLN3
SCHEMBL4465327 0.84 CNR1 (0.68) CNR1MAPTHTTLMNAKMT2A
SCHEMBL4468271 0.84 LMNA (0.64) CNR1MAPTHTTPOLBLMNA
SCHEMBL4461762 0.82 CNR1 (0.76) CNR1HTTL3MBTL1POLBTHRB
SCHEMBL4468884 0.81 CNR1 (0.77) CNR1HTTPOLBLMNASMN1; SMN2
SCHEMBL4463119 0.81 CNR1 (0.67) CNR1MAPTHTTPOLBLMNA
SCHEMBL4460822 0.80 CNR1 (0.97) CNR1L3MBTL1THRBLMNAMCOLN3
SCHEMBL4462682 0.79 CNR1 (0.67) CNR1MAPTHTTL3MBTL1POLB
SCHEMBL4459981 0.79 CNR1 (1.00) CNR1L3MBTL1THRBLMNAMCOLN3
SCHEMBL4468841 0.79 CNR1 (0.63) CNR1MAPTHTTL3MBTL1POLB

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US claimed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP 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 4230/4885HTT 3224/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885MAPT 4527/4885HTT 3764/4885

“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.