SCHEMBL4733411

SCHEMBL4733411

CC(C)(C)CC(=O)N1CCCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.71
CNR1 P21554 4/20 0.71
MAPT P10636 2/20 0.57
ALDH1A1 P00352 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TRPV1 Q8NER1 3/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52

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
SCHEMBL10253795 0.85 CNR2 (0.69) CNR2CNR1MAPTALDH1A1TRPV1
SCHEMBL10253445 0.84 CNR2 (0.67) CNR2CNR1MAPTALDH1A1NPSR1
SCHEMBL15085797 0.83 CNR2 (0.71) CNR2CNR1MAPTALDH1A1NPSR1
SCHEMBL10253889 0.83 CNR2 (0.93) CNR2CNR1MAPTALDH1A1NPSR1
SCHEMBL10253885 0.83 CNR2 (0.74) CNR2CNR1MAPTALDH1A1NPSR1
SCHEMBL10253879 0.83 CNR2 (1.00) CNR2CNR1MAPTALDH1A1NPSR1
SCHEMBL10253396 0.83 CNR2 (1.00) CNR2CNR1MAPTALDH1A1NPSR1
SCHEMBL10257722 0.83 CNR2 (0.69) CNR2CNR1MAPTALDH1A1NPSR1
SCHEMBL10253887 0.82 CNR2 (0.64) CNR2CNR1MAPTALDH1A1NPSR1
SCHEMBL10253342 0.82 CNR2 (0.98) CNR2CNR1MAPTALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO claimed
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US disclosed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US disclosed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO disclosed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 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-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885MAPT 3811/4885

“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.