SCHEMBL15545180

SCHEMBL15545180

O=C(N1Cc2ccccc2C1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 1.00
▸ HSD11B1 P28845 8/20 0.80
▸ ALDH1A1 P00352 5/20 0.63
▸ LMNA P02545 1/20 0.63
▸ TSHR P16473 3/20 0.59
▸ HTT P42858 3/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ GRM5 P41594 3/20 0.52
▸ DPP4 P27487 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ GRM1 Q13255 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
SCHEMBL15544757 0.89 HSD11B1 (1.00) CNR2HSD11B1ALDH1A1LMNATSHR
SCHEMBL15545110 0.82 CNR2 (0.69) CNR2HSD11B1ALDH1A1LMNATSHR
SCHEMBL15544433 0.82 CNR2 (0.68) CNR2HSD11B1ALDH1A1LMNATSHR
SCHEMBL12104431 0.81 CNR2 (0.68) CNR2HSD11B1ALDH1A1LMNATSHR
SCHEMBL12104220 0.77 CNR2 (0.61) CNR2HSD11B1ALDH1A1LMNADPP4
SCHEMBL15545498 0.76 CNR2 (1.00) CNR2HSD11B1ALDH1A1LMNAHTT
SCHEMBL3459773 0.74 ALDH1A1 (0.65) CNR2HSD11B1ALDH1A1LMNATSHR
SCHEMBL6975690 0.74 HSD11B1 (0.70) CNR2HSD11B1ALDH1A1LMNATSHR
SCHEMBL12104433 0.74 HSD11B1 (0.71) CNR2HSD11B1ALDH1A1LMNATSHR
SCHEMBL3323811 0.73 HSD11B1 (0.65) CNR2HSD11B1ALDH1A1LMNATSHR

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 1447/4885ALDH1A1 889/4885

“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