SCHEMBL4459577

SCHEMBL4459577

CC(C)N1CCN(C(=O)c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)O3)CC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.72
CHRNA7 P36544 2/20 0.57
HRH3 Q9Y5N1 4/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.46
GFER P55789 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45

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
SCHEMBL4465277 0.87 CNR1 (0.77) CNR1ALDH1A1TSHRGFERHSD17B10
SCHEMBL4465606 0.85 CNR1 (0.97) CNR1ALDH1A1TSHRHSD17B10
SCHEMBL4469473 0.84 CNR1 (1.00) CNR1ALDH1A1TSHRHSD17B10
SCHEMBL4459792 0.83 CNR1 (0.76) CNR1ALDH1A1TSHRGFERHSD17B10
SCHEMBL4469976 0.83 CNR1 (1.00) CNR1ALDH1A1TSHR
SCHEMBL4463145 0.82 CNR1 (0.77) CNR1ALDH1A1TSHRGFERHSD17B10
SCHEMBL4463739 0.82 CNR1 (0.77) CNR1ALDH1A1TSHRGFERHSD17B10
SCHEMBL4463673 0.81 CNR1 (0.68) CNR1ALDH1A1TSHRGFERHSD17B10
SCHEMBL4464556 0.79 CNR1 (0.65) CNR1ALDH1A1TSHRGFERHSD17B10
SCHEMBL4457076 0.79 CNR1 (0.74) CNR1ALDH1A1TSHRHSD17B10

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
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
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 2/4885CHRNA7 1121/4885HRH3 834/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885CHRNA7 1301/4885HRH3 1096/4885

“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.