SCHEMBL4463673

SCHEMBL4463673

Cc1ccccc1N1CCN(C(=O)c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)O3)CC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.68
MYC P01106 2/20 0.55
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 3/20 0.53
USP2 O75604 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
TSHR P16473 2/20 0.51
GFER P55789 1/20 0.51
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
AKR1C3 P42330 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL4474697 0.84 CNR1 (0.64) CNR1ALDH1A1HSD17B10USP2NPSR1
SCHEMBL4465277 0.84 CNR1 (0.77) CNR1ALDH1A1HSD17B10MAPTTSHR
SCHEMBL4464556 0.83 CNR1 (0.65) CNR1ALDH1A1HSD17B10USP2NPSR1
SCHEMBL4465606 0.82 CNR1 (0.97) CNR1ALDH1A1HSD17B10MAPK1TSHR
SCHEMBL4469473 0.81 CNR1 (1.00) CNR1ALDH1A1HSD17B10MAPK1TSHR
SCHEMBL4459577 0.81 CNR1 (0.72) CNR1ALDH1A1HSD17B10TSHRGFER
SCHEMBL4459792 0.81 CNR1 (0.76) CNR1ALDH1A1HSD17B10TSHRGFER
SCHEMBL4469976 0.80 CNR1 (1.00) CNR1ALDH1A1TSHR
SCHEMBL4467085 0.80 CNR1 (0.59) CNR1ALDH1A1NPSR1MAPTMAPK1
SCHEMBL4472597 0.80 KDM4E (0.68) CNR1ALDH1A1MAPK1POLB

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
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
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 2/4885MYC 4494/4885ALDH1A1 607/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885MYC 4693/4885ALDH1A1 299/4885

“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.