SCHEMBL15544890

SCHEMBL15544890

O=C(N1CCc2cc(Br)ccc21)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.73
HSD11B1 P28845 2/20 0.57
SLC22A12 Q96S37 1/20 0.49
ABHD6 Q9BV23 1/20 0.48
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL15546058 0.84 CNR2 (1.00) CNR2HSD11B1ALDH1A1POLBALOX5
SCHEMBL15545846 0.84 CNR2 (0.73) CNR2HSD11B1ALDH1A1POLB
SCHEMBL15546212 0.81 CNR2 (0.72) CNR2HSD11B1ALDH1A1POLBALOX5
SCHEMBL15544380 0.81 CNR2 (1.00) CNR2HSD11B1
SCHEMBL15545149 0.80 CNR2 (0.67) CNR2HSD11B1ALDH1A1
SCHEMBL15557207 0.79 CNR2 (0.65) CNR2HSD11B1ALDH1A1PDK1PDK2
SCHEMBL16661664 0.79 CNR2 (0.65) CNR2HSD11B1POLB
SCHEMBL15544537 0.76 CNR2 (0.68) CNR2HSD11B1ALDH1A1POLB
SCHEMBL288802 0.75 SLC22A12 (0.59) SLC22A12ABHD6TUBB4ATUBBTUBA3C
SCHEMBL15587790 0.75 CNR2 (0.43) CNR2HSD11B1SLC22A12ABHD6TUBB4A

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
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 1447/4885SLC22A12 2749/4885

“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.