SCHEMBL1620692

SCHEMBL1620692

Cc1c(-c2ccccc2)nn(C)c1NC(=O)C(C)(C)S(=O)(=O)CC1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.48
CNR1 P21554 3/20 0.48
NTRK1 P04629 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.36
KAT5 Q92993 2/20 0.35
KAT7 O95251 1/20 0.35
PDE8B O95263 2/20 0.35
GRM4 Q14833 2/20 0.35
KAT6A Q92794 2/20 0.35
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
KDM5B Q9UGL1 2/20 0.34
KDM5A P29375 1/20 0.34
GCK P35557 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33

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
SCHEMBL16358876 0.82 NTRK1 (0.41) CNR2CNR1NTRK1PTGDR2PDE8B
SCHEMBL1619715 0.82 CNR2 (0.51) CNR2CNR1NTRK1
SCHEMBL1620632 0.80 NTRK1 (0.43) CNR1NTRK1
SCHEMBL1621629 0.79 CNR2 (0.48) CNR2CNR1GCK
SCHEMBL1622016 0.76 ALDH1A1 (0.55) CNR2CNR1GCKTRPV4
SCHEMBL1621484 0.75 SMN1; SMN2 (0.57) CNR2CNR1
SCHEMBL1621550 0.75 CNR2 (0.49) CNR2CNR1PDE8BGCK
SCHEMBL4010819 0.74 ALDH1A1 (0.51) CNR2CNR1
SCHEMBL4016691 0.74 MAPT (0.49) CNR2CNR1NTRK1KCNJ6KCNJ5
SCHEMBL1621231 0.74 CNR2 (0.48) CNR2CNR1PDE8BGCK

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829034-B2 Compounds which modulate the CB2 receptor Boehringer Ingerlheim International GmbH (DE) 2014-09-09 US claimed
EP-2074084-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-08-28 EP claimed
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US claimed
EP-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP claimed
US-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US claimed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO claimed
US-8829034-B2 Compounds which modulate the CB2 receptor Boehringer Ingerlheim International GmbH (DE) 2014-09-09 US disclosed
US-8829034-B2 Compounds which modulate the CB2 receptor Boehringer Ingerlheim International GmbH (DE) 2014-09-09 US disclosed
US-8829034-B2 Compounds which modulate the CB2 receptor Boehringer Ingerlheim International GmbH (DE) 2014-09-09 US disclosed
EP-2074084-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-08-28 EP disclosed
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
US-7928123-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-19 US disclosed
US-7928123-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-19 US disclosed
EP-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP disclosed
US-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US disclosed
US-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US disclosed
US-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US disclosed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 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 (2 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-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885NTRK1 39/4885
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885NTRK1 519/4885

“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.