SCHEMBL15544433

SCHEMBL15544433

O=C(N1Cc2ccc(F)cc2C1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.68
▸ ALDH1A1 P00352 4/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ HSD11B1 P28845 3/20 0.57
▸ DPP9 Q86TI2 9/20 0.55
▸ DPP8 Q6V1X1 7/20 0.55
▸ DPP4 P27487 4/20 0.53
▸ GRM1 Q13255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ DPP7 Q9UHL4 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL15545180 0.82 CNR2 (1.00) CNR2ALDH1A1SMN1; SMN2NPSR1TSHR
SCHEMBL16938168 0.81 DPP9 (0.47) CNR2ALDH1A1SMN1; SMN2NPSR1TSHR
SCHEMBL30685074 0.77 DPP9 (0.78) DPP9DPP8DPP4
SCHEMBL15545110 0.75 CNR2 (0.69) CNR2ALDH1A1SMN1; SMN2NPSR1TSHR
SCHEMBL15546058 0.74 CNR2 (1.00) CNR2ALDH1A1SMN1; SMN2NPSR1TSHR
SCHEMBL6975690 0.73 HSD11B1 (0.70) CNR2ALDH1A1SMN1; SMN2NPSR1TSHR
SCHEMBL3660060 0.73 DPP9 (0.58) DPP9DPP8DPP4DPP7
SCHEMBL30685001 0.73 DPP9 (1.00) DPP9DPP8
SCHEMBL27356261 0.73 DPP9 (1.00) DPP9DPP8
SCHEMBL15544757 0.72 HSD11B1 (1.00) CNR2ALDH1A1SMN1; SMN2NPSR1TSHR

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 13 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
EP-2870139-A1 NOVEL ADAMANTYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS F. Hoffmann-La Roche AG (CH) 2015-05-13 — — EP claimed
US-20150111886-A1 NOVEL ADAMANTYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS HOFFMANN-LA ROCHE INC. (US) 2015-04-23 — — US claimed
WO-2014005968-A1 NOVEL ADAMANTYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-01-09 — — WO 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
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 2/4885ALDH1A1 889/4885SMN1; SMN2 3677/4885

“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.

Send feedback