SCHEMBL774473

SCHEMBL774473

C=C(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)n(C)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.52
CNR1 P21554 3/20 0.47
GCK P35557 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
KAT6A Q92794 2/20 0.30
KAT5 Q92993 2/20 0.30
KAT8 Q9H7Z6 2/20 0.30
KAT7 O95251 1/20 0.30
LRRK2 Q5S007 1/20 0.30
CTPS1 P17812 1/20 0.30

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
SCHEMBL766896 0.84 CNR2 (0.57) CNR2CNR1
SCHEMBL1619666 0.79 CNR2 (0.50) CNR2CNR1
SCHEMBL12753875 0.76 CNR2 (0.39) CNR2CNR1KAT8
SCHEMBL13062811 0.74 CNR2 (0.41) CNR2
SCHEMBL1619502 0.73 CNR2 (0.58) CNR2
SCHEMBL4015146 0.73 CNR2 (0.46) CNR2CNR1
SCHEMBL12826891 0.72 CNR2 (0.47) CNR2CNR1
SCHEMBL1621077 0.72 CNR2 (0.57) CNR2
SCHEMBL10066902 0.72 CNR2 (0.56) CNR2CNR1
SCHEMBL14299985 0.72 CNR2 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329735-B2 Tetrazole compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-11 US disclosed
US-20120071529-A1 Tetrazole Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-22 US 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-20120071529-A1 Tetrazole Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885GCK 2962/4885

“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.