SCHEMBL4465124

SCHEMBL4465124

O=C(c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2)N1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.59
TSHR P16473 2/20 0.47
GFER P55789 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NOTUM Q6P988 3/20 0.43
HSD11B1 P28845 1/20 0.43

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
SCHEMBL4464556 0.79 CNR1 (0.65) CNR1TSHRGFERHSD17B10ALDH1A1
SCHEMBL14256817 0.78 NOTUM (0.42) CNR1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4474697 0.78 CNR1 (0.64) CNR1TSHRGFERHSD17B10ALDH1A1
SCHEMBL4465606 0.76 CNR1 (0.97) CNR1TSHRHSD17B10ALDH1A1
SCHEMBL22491393 0.76 MGLL (0.51) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL29734647 0.76 MGLL (0.51) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL4465277 0.75 CNR1 (0.77) CNR1TSHRGFERHSD17B10ALDH1A1
SCHEMBL4469473 0.75 CNR1 (1.00) CNR1TSHRHSD17B10ALDH1A1
SCHEMBL22773332 0.75 ALDH1A1 (0.46) TSHRGFERHSD17B10ALDH1A1LMNA
SCHEMBL4459792 0.74 CNR1 (0.76) CNR1TSHRGFERHSD17B10ALDH1A1

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 11 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
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US claimed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US 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
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US 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 2/4885TSHR 1029/4885GFER 958/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885TSHR 1171/4885GFER 1169/4885

“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.