SCHEMBL15545149

SCHEMBL15545149

O=C(N1CCc2cc([N+](=O)[O-])ccc21)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.67
HSD11B1 P28845 2/20 0.53
HTR2C P28335 1/20 0.48
DRD4 P21917 1/20 0.47
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL15545085 0.91 CNR2 (0.63) CNR2HSD11B1ALDH1A1NPSR1LMNA
SCHEMBL15544890 0.80 CNR2 (0.73) CNR2HSD11B1ALDH1A1
SCHEMBL15546058 0.80 CNR2 (1.00) CNR2HSD11B1ALDH1A1NPSR1HTT
SCHEMBL15545846 0.80 CNR2 (0.73) CNR2HSD11B1HTR2CALDH1A1NPSR1
SCHEMBL27888907 0.79 HTR2C (0.58) HTR2CDRD4ALDH1A1LMNAHTT
SCHEMBL853931 0.78 HTR2C (0.57) HTR2CDRD4ALDH1A1LMNAHTT
SCHEMBL15544380 0.77 CNR2 (1.00) CNR2HSD11B1
SCHEMBL615623 0.77 NOTUM (0.61) HTR2CDRD4LMNAHTTNPC1
SCHEMBL15557207 0.75 CNR2 (0.65) CNR2HSD11B1ALDH1A1NPSR1LMNA
SCHEMBL16661664 0.75 CNR2 (0.65) CNR2HSD11B1HTR2CDRD4KDM4E

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 10 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
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
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 1447/4885HTR2C 95/4885

“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.