SCHEMBL3787987

SCHEMBL3787987

CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)NC2CC2)no1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.59
CNR1 P21554 8/20 0.59
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EGFR P00533 1/20 0.48
EPHX2 P34913 2/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
FLT3 P36888 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL3661203 0.95 CNR2 (0.57) CNR2CNR1NPC1SMN1; SMN2EGFR
SCHEMBL3657938 0.94 CNR2 (0.56) CNR2CNR1NPC1SMN1; SMN2EGFR
SCHEMBL3655665 0.93 CNR2 (0.55) CNR2CNR1NPC1SMN1; SMN2EGFR
SCHEMBL1620892 0.82 CNR2 (0.58) CNR2CNR1NPC1SMN1; SMN2EGFR
SCHEMBL1620543 0.80 CNR2 (0.56) CNR2CNR1NPC1SMN1; SMN2EGFR
SCHEMBL1621234 0.80 CNR2 (0.64) CNR2CNR1NPC1SMN1; SMN2EGFR
SCHEMBL3659365 0.80 CNR1 (0.58) CNR2CNR1NPC1SMN1; SMN2EGFR
SCHEMBL3653682 0.80 CNR2 (0.58) CNR2CNR1NPC1SMN1; SMN2EGFR
SCHEMBL2254122 0.79 NPC1 (0.54) CNR2CNR1NPC1SMN1; SMN2EGFR
SCHEMBL1620926 0.79 CNR2 (0.55) CNR2CNR1NPC1SMN1; SMN2EGFR

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
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US claimed
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP claimed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US claimed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US disclosed
WO-2009061652-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-14 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-20100331304-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885NPC1 1315/4885

“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.