SCHEMBL15544757

SCHEMBL15544757

O=C(N1CCc2ccccc2C1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 6/20 1.00
▸ CNR2 P34972 5/20 0.80
▸ DPP4 P27487 1/20 0.61
▸ ALDH1A1 P00352 5/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ TSHR P16473 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ NOTUM Q6P988 1/20 0.54
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ GRM5 P41594 1/20 0.50
▸ KEAP1 Q14145 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
SCHEMBL15545180 0.89 CNR2 (1.00) HSD11B1CNR2DPP4ALDH1A1TSHR
SCHEMBL12104433 0.84 HSD11B1 (0.71) HSD11B1CNR2DPP4ALDH1A1ALOX12
SCHEMBL6975690 0.82 HSD11B1 (0.70) HSD11B1CNR2DPP4ALDH1A1TSHR
SCHEMBL30958586 0.80 HSD11B1 (0.67) HSD11B1CNR2DPP4ALDH1A1HTT
SCHEMBL12104217 0.80 HSD11B1 (0.65) HSD11B1CNR2DPP4ALDH1A1ALOX12
SCHEMBL1263309 0.79 HSD11B1 (0.65) HSD11B1CNR2
SCHEMBL3456257 0.79 ALDH1A1 (0.76) HSD11B1CNR2DPP4ALDH1A1ALOX12
SCHEMBL3323811 0.79 HSD11B1 (0.65) HSD11B1CNR2ALDH1A1TSHRHTT
SCHEMBL3322523 0.77 HSD11B1 (0.62) HSD11B1CNR2ALDH1A1TSHRKDM4E
SCHEMBL15544380 0.77 CNR2 (1.00) HSD11B1CNR2TSHRNOTUM

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 HSD11B1 1447/4885CNR2 2/4885DPP4 3120/4885

“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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