SCHEMBL350954

SCHEMBL350954

Cn1nc(C(C)(C)C)cc1C(=O)NN

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
GRN P28799 1/20 0.65
SORT1 Q99523 1/20 0.65
ALDH1A1 P00352 2/20 0.56
GALR3 O60755 3/20 0.52
RAB9A P51151 1/20 0.52
AAK1 Q2M2I8 1/20 0.52
CTSL P07711 5/20 0.51
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
CNR1 P21554 2/20 0.48
CNR2 P34972 2/20 0.48
CACNA1H O95180 1/20 0.47
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
NR2F2 P24468 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL7985728 0.85 KDM4E (0.67) KDM4EGRNSORT1ALDH1A1GALR3
SCHEMBL13753933 0.84 KDM4E (0.61) KDM4EGRNSORT1ALDH1A1GALR3
SCHEMBL352072 0.81 GRN (0.71) KDM4EGRNSORT1GALR3RAB9A
Hydrochloric Acid SCHEMBL6312227 0.80 KDM4E (0.56) KDM4EGRNSORT1ALDH1A1GALR3
SCHEMBL10146249 0.80 GRN (0.65) KDM4EGRNSORT1ALDH1A1GALR3
SCHEMBL8260077 0.79 GRN (0.73) KDM4EGRNSORT1GALR3RAB9A
SCHEMBL1572486 0.79 GRN (1.00) KDM4EGRNSORT1GALR3RAB9A
SCHEMBL29045409 0.78 GRN (0.67) KDM4EGRNSORT1ALDH1A1GALR3
SCHEMBL350610 0.78 GRN (0.67) KDM4EGRNSORT1GALR3RAB9A
SCHEMBL13545145 0.78 GRN (0.67) KDM4EGRNSORT1GALR3RAB9A

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
US-8383651-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-8383651-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
EP-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed
EP-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
WO-2011037795-A1 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-31 WO disclosed
US-20110071196-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-20110071196-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
EP-2283001-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP disclosed
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO disclosed
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 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-20110071196-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 KDM4E 3300/4885GRN 4514/4885SORT1 4443/4885
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor CNR2, CNR1, TRPV1 KDM4E 2157/4885GRN 4810/4885SORT1 2723/4885

“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.