SCHEMBL927381

SCHEMBL927381

O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CC1CCC2O1)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.54
CNR1 P21554 7/20 0.54
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.40

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
SCHEMBL926623 1.00 CNR2 (0.54) CNR2CNR1MAPTALDH1A1LMNA
SCHEMBL927584 0.87 CNR2 (0.52) CNR2CNR1MAPT
SCHEMBL928431 0.87 CNR2 (0.53) CNR2CNR1MAPT
SCHEMBL926747 0.86 CNR2 (0.51) CNR2CNR1MAPTALDH1A1LMNA
SCHEMBL930026 0.86 CNR2 (0.62) CNR2CNR1MAPTCYP1A2
SCHEMBL926911 0.84 CNR2 (0.47) CNR2CNR1MAPTLMNA
SCHEMBL927648 0.84 CNR2 (0.63) CNR2CNR1MAPTALDH1A1NPSR1
SCHEMBL929987 0.84 CNR2 (0.46) CNR2CNR1MAPTALDH1A1TSHR
SCHEMBL928016 0.84 CNR2 (0.46) CNR2CNR1MAPTALDH1A1TSHR
SCHEMBL4893282 0.83 TP53 (0.50) CNR2CNR1MAPTALDH1A1TSHR

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 6 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
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 1/4885MAPT 2116/4885
US-20110086838-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPSR1 CNR2 2/4885CNR1 1/4885MAPT 2116/4885

“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.