SCHEMBL2676458

SCHEMBL2676458

CC(C)(C)c1cc(NC(=O)c2cccc(C(F)(F)F)c2F)n(CC2CCCO2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.49
P2RX7 Q99572 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
CNR1 P21554 3/20 0.40
PTGES O14684 2/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2676457 1.00 CNR2 (0.49) CNR2P2RX7TAS1R3TAS1R1TAS1R2
SCHEMBL283367 0.84 CNR2 (0.60) CNR2
SCHEMBL2814455 0.80 CNR2 (0.51) CNR2POLBMAPK14
SCHEMBL283342 0.80 CNR2 (0.51) CNR2POLBMAPK14
SCHEMBL478443 0.78 CNR2 (0.59) CNR2
SCHEMBL2812699 0.77 CNR2 (0.50) CNR2KDM4EALDH1A1GAA
SCHEMBL2815371 0.77 CNR2 (0.50) CNR2KDM4EALDH1A1GAA
SCHEMBL2813991 0.71 CNR2 (0.46) CNR2KDM4EGAAKMT2AMEN1
SCHEMBL3388010 0.70 CNR2 (0.65) CNR2CNR1
SCHEMBL3388016 0.70 CNR2 (0.65) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331516-B1 IMINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LAB (US) 2013-03-13 EP disclosed
US-8173687-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2012-05-08 US disclosed
CN-102123993-A Imine derivatives as cannabinoid receptor ligands ABBOTT LAB 2011-07-13 CN disclosed
US-20100041720-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-02-18 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-20100041720-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R CNR2 2/4885P2RX7 99/4885TAS1R3 392/4885

“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.