SCHEMBL1706799

SCHEMBL1706799

CCc1[c]c(C(F)(F)F)ccn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
NOS1 P29475 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.31
LOX P28300 1/20 0.30

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
SCHEMBL791272 0.74 NOS3 (0.36) NOS3NOS2NOS1
SCHEMBL4168479 0.73 MAPK1 (0.33)
SCHEMBL9155387 0.73 NOS3 (0.39) NOS3NOS2NOS1
SCHEMBL602198 0.71 NOS3 (0.38) NOS3NOS2LOXL2
SCHEMBL4199862 0.71
SCHEMBL1881445 0.71 NOS3 (0.38) NOS3NOS2LOXL2
SCHEMBL4177697 0.70 PDE4B (0.30)
SCHEMBL790082 0.69 NOS3 (0.36) NOS3NOS2
SCHEMBL8010825 0.69
SCHEMBL1966773 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094705-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-04-18 EP claimed
US-8030306-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-04 US claimed
US-20100029656-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2010-02-04 US claimed
CN-101631789-A Azabicyclic heterocycles as Cannibinoid receptor modulators BRISTOL MYERS SQUIBB CO 2010-01-20 CN claimed
EP-2094705-A2 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Brystol-Myers Squibb Company (US) 2009-09-02 EP claimed
WO-2008076810-A9 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2009-07-30 WO claimed
WO-2008076810-A2 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-26 WO claimed
EP-2094705-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-04-18 EP disclosed
US-8030306-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-04 US disclosed
US-20100029656-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2010-02-04 US disclosed
CN-101631789-A Azabicyclic heterocycles as Cannibinoid receptor modulators BRISTOL MYERS SQUIBB CO 2010-01-20 CN disclosed
WO-2008076810-A9 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2009-07-30 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-20100029656-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, ARRB1 NOS3 4390/4885NOS2 3443/4885NOS1 2970/4885

“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.