SCHEMBL15544353

SCHEMBL15544353

O=C(N1CCc2ccc(C(F)(F)F)cc21)C12CC3CC(CC(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 1.00
HSD11B1 P28845 2/20 0.54
XIAP P98170 1/20 0.48
BIRC2 Q13490 1/20 0.48
NOTUM Q6P988 1/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ROCK1 Q13464 1/20 0.41

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
SCHEMBL15544537 0.81 CNR2 (0.68) CNR2HSD11B1XIAPBIRC2NOTUM
SCHEMBL15546212 0.78 CNR2 (0.72) CNR2HSD11B1SMN1; SMN2
SCHEMBL15544380 0.78 CNR2 (1.00) CNR2HSD11B1NOTUM
SCHEMBL2530222 0.77 CNR2 (0.62) CNR2XIAPBIRC2NOTUMHTR2A
SCHEMBL15545085 0.77 CNR2 (0.63) CNR2HSD11B1SMN1; SMN2
SCHEMBL15587311 0.77 CNR2 (0.61) CNR2XIAPBIRC2NOTUMHTR2A
SCHEMBL16600192 0.76 CNR2 (0.61) CNR2XIAPBIRC2NOTUMHTR2A
SCHEMBL30038606 0.76 NOTUM (0.78) CNR2XIAPBIRC2NOTUMHTR2A
SCHEMBL15546058 0.76 CNR2 (1.00) CNR2HSD11B1NOTUMSMN1; SMN2
SCHEMBL16661711 0.76 CNR2 (0.61) CNR2HSD11B1XIAPBIRC2NOTUM

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-2870139-B1 NOVEL ADAMANTYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS HOFFMANN LA ROCHE (CH) 2016-06-15 EP claimed
US-9090615-B2 Adamantyl derivatives as cannabinoid receptor 2 agonists HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US claimed
US-20150111886-A1 NOVEL ADAMANTYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS HOFFMANN-LA ROCHE INC. (US) 2015-04-23 US claimed
EP-2870139-B1 NOVEL ADAMANTYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS HOFFMANN LA ROCHE (CH) 2016-06-15 EP disclosed
US-9090615-B2 Adamantyl derivatives as cannabinoid receptor 2 agonists HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-9090615-B2 Adamantyl derivatives as cannabinoid receptor 2 agonists HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-9090615-B2 Adamantyl derivatives as cannabinoid receptor 2 agonists HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
EP-2870139-A1 NOVEL ADAMANTYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS F. Hoffmann-La Roche AG (CH) 2015-05-13 EP disclosed
US-20150111886-A1 NOVEL ADAMANTYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS HOFFMANN-LA ROCHE INC. (US) 2015-04-23 US disclosed
US-20150111886-A1 NOVEL ADAMANTYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS HOFFMANN-LA ROCHE INC. (US) 2015-04-23 US disclosed
US-20150111886-A1 NOVEL ADAMANTYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS HOFFMANN-LA ROCHE INC. (US) 2015-04-23 US disclosed
WO-2014005968-A1 NOVEL ADAMANTYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-01-09 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-20150111886-A1 NOVEL ADAMANTYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS CNR1, CNR2, GPR18 CNR2 2/4885HSD11B1 1447/4885XIAP 4604/4885

“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.