SCHEMBL4462997

SCHEMBL4462997

CN1CCCN(S(=O)(=O)c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)O3)CC1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.78
PKM P14618 9/20 0.62
CYP2C19 P33261 1/20 0.62
APOBEC3A P31941 1/20 0.57
APOBEC3G Q9HC16 1/20 0.57
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.53
POLB P06746 2/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PKLR P30613 2/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 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
SCHEMBL4468884 0.95 CNR1 (0.77) CNR1PKMCYP2C19APOBEC3AAPOBEC3G
SCHEMBL4460822 0.89 CNR1 (0.97) CNR1PKMRAB9AKMT2ATSHR
SCHEMBL4459981 0.88 CNR1 (1.00) CNR1PKMRAB9AKMT2ATSHR
SCHEMBL4461762 0.82 CNR1 (0.76) CNR1PKMHTTPOLBKMT2A
SCHEMBL4460146 0.82 CNR1 (0.79) CNR1PKMRAB9APOLBKMT2A
SCHEMBL4466755 0.82 CNR1 (0.86) CNR1PKMTSHRPKLRLMNA
SCHEMBL4468447 0.81 CNR1 (0.81) CNR1PKMHTTRAB9AKMT2A
SCHEMBL4460888 0.80 CNR1 (0.71) CNR1PKMCYP2C19HTTRAB9A
SCHEMBL4463225 0.78 CNR1 (0.69) CNR1CYP2C19POLBKMT2ASMN1; SMN2
SCHEMBL4467923 0.78 CNR1 (0.68) CNR1PKMHTTPOLBKMT2A

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 2/4885PKM 2705/4885CYP2C19 67/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885PKM 2924/4885CYP2C19 75/4885

“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.