SCHEMBL2548033

SCHEMBL2548033

Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(CCS(C)(=O)=O)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 1.00
CNR1 P21554 9/20 1.00

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
Hydrochloric Acid SCHEMBL2552922 0.99 CNR2 (1.00) CNR2CNR1
SCHEMBL12284172 0.92 CNR2 (0.84) CNR2CNR1
Hydrochloric Acid SCHEMBL14321180 0.91 CNR2 (0.84) CNR2CNR1
SCHEMBL12284427 0.90 CNR2 (0.82) CNR2CNR1
SCHEMBL12284185 0.90 CNR2 (0.81) CNR2CNR1
Hydrochloric Acid SCHEMBL14320649 0.89 CNR2 (0.82) CNR2CNR1
Hydrochloric Acid SCHEMBL14321359 0.89 CNR2 (0.82) CNR2CNR1
SCHEMBL2551377 0.86 CNR2 (0.81) CNR2CNR1
SCHEMBL12197623 0.86 CNR2 (1.00) CNR2CNR1
Hydrochloric Acid SCHEMBL2509969 0.85 CNR2 (1.00) CNR2CNR1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102803263-B Purine compounds useful as CB2 agonists LILLY CO ELI 2014-12-17 CN claimed
EP-2552916-B1 PURINE COMPOUNDS USED AS CB2 AGONISTS LILLY CO ELI (US) 2014-05-21 EP claimed
US-8710063-B2 Purine compounds used as CB2 agonists ELI LILLY AND COMPANY (US) 2014-04-29 US claimed
EP-2552916-A1 PURINE COMPOUNDS USED AS CB2 AGONISTS Eli Lilly and Company (US) 2013-02-06 EP claimed
US-20120329809-A1 PURINE COMPOUNDS USED AS CB2 AGONISTS ELI LILLY AND COMPANY (US) 2012-12-27 US claimed
CN-102803263-A Purine compounds useful as CB2 agonists LILLY CO ELI 2012-11-28 CN claimed
WO-2011123482-A1 PURINE COMPOUNDS USED AS CB2 AGONISTS ELI LILLY AND COMPANY (US) 2011-10-06 WO claimed
CN-102803263-B Purine compounds useful as CB2 agonists LILLY CO ELI 2014-12-17 CN disclosed
EP-2552916-B1 PURINE COMPOUNDS USED AS CB2 AGONISTS LILLY CO ELI (US) 2014-05-21 EP disclosed
EP-2552916-B1 PURINE COMPOUNDS USED AS CB2 AGONISTS LILLY CO ELI (US) 2014-05-21 EP disclosed
US-8710063-B2 Purine compounds used as CB2 agonists ELI LILLY AND COMPANY (US) 2014-04-29 US disclosed
EP-2552916-A1 PURINE COMPOUNDS USED AS CB2 AGONISTS Eli Lilly and Company (US) 2013-02-06 EP disclosed
US-20120329809-A1 PURINE COMPOUNDS USED AS CB2 AGONISTS ELI LILLY AND COMPANY (US) 2012-12-27 US disclosed
US-20120329809-A1 PURINE COMPOUNDS USED AS CB2 AGONISTS ELI LILLY AND COMPANY (US) 2012-12-27 US disclosed
US-20120329809-A1 PURINE COMPOUNDS USED AS CB2 AGONISTS ELI LILLY AND COMPANY (US) 2012-12-27 US disclosed
CN-102803263-A Purine compounds useful as CB2 agonists LILLY CO ELI 2012-11-28 CN disclosed
WO-2011123482-A1 PURINE COMPOUNDS USED AS CB2 AGONISTS ELI LILLY AND COMPANY (US) 2011-10-06 WO disclosed
WO-2011123482-A1 PURINE COMPOUNDS USED AS CB2 AGONISTS ELI LILLY AND COMPANY (US) 2011-10-06 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-20120329809-A1 PURINE COMPOUNDS USED AS CB2 AGONISTS CNR2, CNR1, P2RX7 CNR2 1/4885CNR1 2/4885

“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.