SCHEMBL15545498

SCHEMBL15545498

O=C(NC12CC3CC(CC(C3)C1)C2)N1Cc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 1.00
▸ DPP8 Q6V1X1 5/20 0.58
▸ DPP9 Q86TI2 5/20 0.58
▸ GLMN Q92990 2/20 0.57
▸ DPP4 P27487 1/20 0.56
▸ EPHX2 P34913 4/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ BCHE P06276 1/20 0.55
▸ FAAH O00519 1/20 0.54
▸ HSD11B1 P28845 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ HPGD P15428 1/20 0.51
▸ PSMB5 P28074 1/20 0.50

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
SCHEMBL4212783 0.79 PSMB5 (0.65) CNR2DPP8DPP9GLMNDPP4
SCHEMBL17817876 0.78 CNR2 (0.63) CNR2DPP8DPP9GLMNDPP4
SCHEMBL12443646 0.77 LMNA (0.71) CNR2EPHX2KDM4EALDH1A1HSD17B10
SCHEMBL15544821 0.76 CNR2 (0.69) CNR2DPP4BCHEHSD11B1LMNA
SCHEMBL15545180 0.76 CNR2 (1.00) CNR2DPP4KDM4EALDH1A1HSD11B1
SCHEMBL5361160 0.75 CNR2 (0.58) CNR2EPHX2KDM4EALDH1A1HSD17B10
SCHEMBL30685096 0.75 DPP9 (1.00) DPP8DPP9GLMNDPP4
SCHEMBL4228215 0.74 ALDH1A1 (0.59) CNR2DPP4KDM4EALDH1A1HSD11B1
SCHEMBL4100281 0.73 EPHX2 (0.72) CNR2DPP4EPHX2ALDH1A1HSD11B1
SCHEMBL23562342 0.73 CNR2 (0.56) CNR2DPP4KDM4EALDH1A1HSD11B1

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
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
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 2/4885DPP8 3598/4885DPP9 3887/4885

“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.

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