SCHEMBL1707520

SCHEMBL1707520

CC(C)c1[c]c(C(F)(F)F)ccn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
IDH1 O75874 1/20 0.32
IDH2 P48735 1/20 0.32
NPSR1 Q6W5P4 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) NOS3NOS2
SCHEMBL602198 0.71 NOS3 (0.38) NOS3NOS2
SCHEMBL1881445 0.71 NOS3 (0.38) NOS3NOS2
SCHEMBL23529846 0.71 KDM4E (0.32) NOS3NOS2
SCHEMBL18529873 0.71
SCHEMBL790082 0.69 NOS3 (0.36) NOS3NOS2
SCHEMBL22653643 0.69 NOS3 (0.33) NOS3NOS2
SCHEMBL1706799 0.69 NOS3 (0.33) NOS3NOS2
SCHEMBL13058560 0.65 PDE2A (0.36) NPSR1
SCHEMBL4386502 0.65 AR (0.32) NPSR1

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 3443/4885IDH1 1862/4885

“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.