SCHEMBL1333790

SCHEMBL1333790

CC(C)(C)Cc1nc2cc(Br)ccc2n1CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.56
CNR1 P21554 1/20 0.51
P2RX3 P56373 1/20 0.49

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
SCHEMBL13264168 0.89 CNR2 (0.56) CNR2CNR1P2RX3
SCHEMBL1333698 0.88 CNR2 (0.70) CNR2CNR1
SCHEMBL27863713 0.88 CNR2 (0.60) CNR2CNR1
SCHEMBL13263956 0.86 CNR2 (0.54) CNR2CNR1P2RX3
SCHEMBL1333845 0.84 CNR2 (0.81) CNR2
SCHEMBL1335064 0.84 CNR2 (0.66) CNR2CNR1
SCHEMBL1335925 0.83 CNR2 (0.81) CNR2CNR1
SCHEMBL27846506 0.82 CNR2 (0.56) CNR2CNR1
SCHEMBL1336074 0.80 CNR2 (0.81) CNR2CNR1
SCHEMBL17063385 0.79 FPR2 (0.48) P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653063-B2 N-substituted saturated heterocyclic sulfone compounds with CB2 receptor agonistic activity RAQUALIA PHARMA INC. (JP) 2014-02-18 US disclosed
US-8653063-B2 N-substituted saturated heterocyclic sulfone compounds with CB2 receptor agonistic activity RAQUALIA PHARMA INC. (JP) 2014-02-18 US disclosed
US-8653063-B2 N-substituted saturated heterocyclic sulfone compounds with CB2 receptor agonistic activity RAQUALIA PHARMA INC. (JP) 2014-02-18 US disclosed
US-20110281840-A1 N-SUBSTITUTED SATURATED HETEROCYCLIC SULFONE COMPOUNDS WITH CB2 RECEPTOR AGONISTIC ACTIVITY ASKAT INC. (JP) 2011-11-17 US disclosed
US-20110281840-A1 N-SUBSTITUTED SATURATED HETEROCYCLIC SULFONE COMPOUNDS WITH CB2 RECEPTOR AGONISTIC ACTIVITY ASKAT INC. (JP) 2011-11-17 US disclosed
US-20110281840-A1 N-SUBSTITUTED SATURATED HETEROCYCLIC SULFONE COMPOUNDS WITH CB2 RECEPTOR AGONISTIC ACTIVITY ASKAT INC. (JP) 2011-11-17 US disclosed
EP-2379533-A1 N-SUBSTITUTED SATURATED HETEROCYCLIC SULFONE COMPOUNDS WITH CB2 RECEPTOR AGONISTIC ACTIVITY RaQualia Pharma Inc (JP) 2011-10-26 EP disclosed
WO-2010084767-A1 N-SUBSTITUTED SATURATED HETEROCYCLIC SULFONE COMPOUNDS WITH CB2 RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2010-07-29 WO disclosed
WO-2010084767-A1 N-SUBSTITUTED SATURATED HETEROCYCLIC SULFONE COMPOUNDS WITH CB2 RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2010-07-29 WO 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-20110281840-A1 N-SUBSTITUTED SATURATED HETEROCYCLIC SULFONE COMPOUNDS WITH CB2 RECEPTOR AGONISTIC ACTIVITY CNR1, CNR2, NPSR1 CNR2 2/4885CNR1 1/4885P2RX3 58/4885

“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.