SCHEMBL927879

SCHEMBL927879

O=C(Nc1sc2c(c1C(=O)c1ccco1)CC1CCC2O1)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.43
CNR1 P21554 7/20 0.43
ANO1 Q5XXA6 1/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE4B Q07343 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.35
ACKR3 P25106 1/20 0.35

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
SCHEMBL926911 0.87 CNR2 (0.47) CNR2CNR1ANO1MAPTMEN1
SCHEMBL4893282 0.86 TP53 (0.50) CNR2CNR1MAPTMEN1NPC1
SCHEMBL926960 0.84 CNR2 (0.45) CNR2CNR1ANO1MAPTMEN1
SCHEMBL927437 0.84 CNR2 (0.45) CNR2CNR1MAPTALDH1A1TP53
SCHEMBL929987 0.83 CNR2 (0.46) CNR2CNR1ANO1MAPTALDH1A1
SCHEMBL927584 0.83 CNR2 (0.52) CNR2CNR1ANO1MAPTTP53
SCHEMBL928016 0.83 CNR2 (0.46) CNR2CNR1ANO1MAPTALDH1A1
SCHEMBL928431 0.83 CNR2 (0.53) CNR2CNR1MAPTTP53PDE4B
SCHEMBL928869 0.83 CNR2 (0.59) CNR2CNR1MAPT
SCHEMBL926747 0.82 CNR2 (0.51) CNR2CNR1MAPTALDH1A1TP53

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868038-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2011-01-11 US claimed
WO-2008028093-A1 COMPOUNDS AS CB2 CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-03-06 WO claimed
US-20080058307-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-03-06 US claimed
US-8598224-B2 Method for treating cannabinoid receptor related diseases with cannabinoid receptor ligands ABBVIE INC. (US) 2013-12-03 US disclosed
US-20110086838-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7868038-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2011-01-11 US disclosed
US-20080058307-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-03-06 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-20080058307-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPSR1 CNR2 2/4885CNR1 1/4885ANO1 3840/4885
US-20110086838-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPSR1 CNR2 2/4885CNR1 1/4885ANO1 3840/4885

“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.