SCHEMBL929987

SCHEMBL929987

O=C(Nc1sc2c(c1C(=O)NC1CCCC1)CC1CCC2O1)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.46
CNR1 P21554 9/20 0.46
ACKR3 P25106 1/20 0.42
EPHX2 P34913 1/20 0.41
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
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
PDE4B Q07343 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
ANO1 Q5XXA6 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
SCHEMBL928016 0.98 CNR2 (0.46) CNR2CNR1ACKR3EPHX2CDK1
SCHEMBL926911 0.89 CNR2 (0.47) CNR2CNR1ACKR3PDE4BMAPT
SCHEMBL926960 0.87 CNR2 (0.45) CNR2CNR1ACKR3KDM4EHPGD
SCHEMBL926747 0.87 CNR2 (0.51) CNR2CNR1ACKR3ALDH1A1TSHR
SCHEMBL930026 0.87 CNR2 (0.62) CNR2CNR1EPHX2PDE4BMAPT
SCHEMBL928431 0.86 CNR2 (0.53) CNR2CNR1PDE4BMAPT
SCHEMBL926772 0.86 CNR2 (0.46) CNR2CNR1ACKR3EPHX2CDK1
SCHEMBL927584 0.86 CNR2 (0.52) CNR2CNR1ACKR3PDE4BMAPT
SCHEMBL928869 0.86 CNR2 (0.59) CNR2CNR1MAPT
SCHEMBL927437 0.85 CNR2 (0.45) CNR2CNR1ALDH1A1PDE4BMAPT

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 1/4885ACKR3 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.