SCHEMBL4457076

SCHEMBL4457076

O=C(c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2)N1CCC2(CC1)OCCO2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.74
HPGD P15428 3/20 0.63
GAA P10253 1/20 0.63
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NAMPT P43490 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
CASP7 P55210 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
SCHEMBL4469976 0.85 CNR1 (1.00) CNR1HPGDALDH1A1TSHR
SCHEMBL4465606 0.85 CNR1 (0.97) CNR1HPGDALDH1A1MAPK1RECQL
SCHEMBL4469473 0.84 CNR1 (1.00) CNR1HPGDALDH1A1MAPK1RECQL
SCHEMBL4465277 0.82 CNR1 (0.77) CNR1HPGDPOLBKMT2AALDH1A1
SCHEMBL4463145 0.82 CNR1 (0.77) CNR1HPGDALDH1A1NPC1RAB9A
SCHEMBL4463739 0.82 CNR1 (0.77) CNR1HPGDALDH1A1NPC1SMN1; SMN2
SCHEMBL4459792 0.81 CNR1 (0.76) CNR1ALDH1A1HSD17B10TSHR
SCHEMBL4459577 0.79 CNR1 (0.72) CNR1ALDH1A1HSD17B10TSHR
SCHEMBL4465410 0.78 CNR1 (0.71) CNR1HPGDALDH1A1SMN1; SMN2TSHR
SCHEMBL2077811 0.78 POLB (0.67) HPGDGAAPOLBKMT2AALDH1A1

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
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
EP-1509497-A1 CALCIUM RECEPTOR MODULATING ARYLALKYLAMINES Amgen Inc. (US) 2005-03-02 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
WO-2003099776-A1 CALCIUM RECEPTOR MODULATING ARYLALKYLAMINES AMGEN INC. (US) 2003-12-04 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 2/4885HPGD 259/4885GAA 1684/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885HPGD 351/4885GAA 1559/4885

“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.