SCHEMBL961881

SCHEMBL961881

Cc1s/c(=N/C(=O)C23CC4CC(CC(C4)C2)C3)n(CC(=O)OC(C)(C)C)c1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.43
CNR1 P21554 4/20 0.43
CYP17A1 P05093 2/20 0.33
CYP19A1 P11511 2/20 0.33
EPHX2 P34913 2/20 0.33
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
ATM Q13315 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL1613131 1.00 CNR2 (0.43) CNR2CNR1CYP17A1CYP19A1EPHX2
SCHEMBL961882 1.00 CNR2 (0.43) CNR2CNR1CYP17A1CYP19A1EPHX2
SCHEMBL963816 0.85 CNR2 (0.47) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL963814 0.85 CNR2 (0.47) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL962813 0.82 CNR2 (0.51) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL962815 0.82 CNR2 (0.51) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL961901 0.80 CNR2 (0.49) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL961900 0.80 CNR2 (0.49) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL961884 0.80 CNR2 (0.61) CNR2CNR1ALDH1A1TSHRMEN1
SCHEMBL1614627 0.80 CNR2 (0.44) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7875639-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBOTT LABORATORIES (US) 2011-01-25 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 (1 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-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885CYP17A1 1167/4885

“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.