SCHEMBL926772

SCHEMBL926772

O=C(Nc1sc2c(c1C(=O)NC1CCCC1)C1CCC(C2)O1)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.46
CNR1 P21554 8/20 0.46
ACKR3 P25106 1/20 0.42
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
EPHX2 P34913 1/20 0.39
PDE4B Q07343 1/20 0.39
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34

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
SCHEMBL927694 0.89 CNR2 (0.49) CNR2CNR1PDE4BMAPT
SCHEMBL927543 0.87 CNR2 (0.62) CNR2CNR1PDE4BMAPT
SCHEMBL929987 0.86 CNR2 (0.46) CNR2CNR1ACKR3KDM4EALDH1A1
SCHEMBL928016 0.85 CNR2 (0.46) CNR2CNR1ACKR3KDM4EALDH1A1
SCHEMBL928018 0.83 CNR2 (0.47) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL926829 0.83 CNR2 (0.63) CNR2CNR1PDE4B
SCHEMBL926911 0.76 CNR2 (0.47) CNR2CNR1ACKR3PDE4BMAPT
SCHEMBL926960 0.75 CNR2 (0.45) CNR2CNR1ACKR3KDM4EHPGD
SCHEMBL2162476 0.75 CNR2 (0.47) CNR2CNR1ACKR3KDM4EALDH1A1
SCHEMBL928869 0.74 CNR2 (0.59) CNR2CNR1MAPT

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 1/4885ACKR3 566/4885
US-20110086838-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPSR1 CNR2 2/4885CNR1 1/4885ACKR3 566/4885

“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.