SCHEMBL4461776

SCHEMBL4461776

O=C(c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2)N1CCCC(CO)C1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.69
ALDH1A1 P00352 4/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
GRM3 Q14832 3/20 0.46
PDK2 Q15119 1/20 0.46
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
VNN1 O95497 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
SCHEMBL4465410 0.87 CNR1 (0.71) CNR1ALDH1A1TSHRPDK2
SCHEMBL4465606 0.83 CNR1 (0.97) CNR1ALDH1A1TSHR
SCHEMBL4465268 0.82 CNR1 (0.70) CNR1ALDH1A1TSHRPDK2RAB9A
SCHEMBL4469473 0.82 CNR1 (1.00) CNR1ALDH1A1TSHR
SCHEMBL4459567 0.81 ALDH1A1 (0.68) CNR1ALDH1A1RAB9AKMT2ANPC1
SCHEMBL4463145 0.80 CNR1 (0.77) CNR1ALDH1A1TSHRRAB9ANPC1
SCHEMBL4695651 0.80 CNR1 (0.60) CNR1ALDH1A1TSHRRAB9ANPC1
SCHEMBL10723661 0.77 GRM3 (0.56) ALDH1A1L3MBTL1GRM3PDK2RAB9A
SCHEMBL10724293 0.76 GRM3 (0.68) ALDH1A1L3MBTL1GRM3RAB9AKDM4E
SCHEMBL4469976 0.76 CNR1 (1.00) CNR1ALDH1A1TSHR

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
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
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 2/4885ALDH1A1 607/4885TSHR 1029/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885ALDH1A1 299/4885TSHR 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.