SCHEMBL9891817

SCHEMBL9891817

COCC(C)(C)c1cc(NC(=O)C(C)C)on1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.56
CNR1 P21554 8/20 0.56
ALDH1A1 P00352 1/20 0.47
MAPK14 Q16539 5/20 0.45
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41

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
SCHEMBL13413811 0.89 CNR2 (0.47) CNR2CNR1ALDH1A1MAPK14RAF1
SCHEMBL12566545 0.89 CNR2 (0.52) CNR2CNR1ALDH1A1MAPK14RAF1
SCHEMBL13413812 0.88 CNR2 (0.46) CNR2CNR1ALDH1A1MAPK14RAF1
SCHEMBL10216934 0.87 CNR2 (0.57) CNR2CNR1ALDH1A1MAPK14RAF1
SCHEMBL10171233 0.86 MAPK14 (0.46) CNR2CNR1ALDH1A1MAPK14
SCHEMBL9891529 0.86 CNR2 (0.62) CNR2CNR1ALDH1A1MAPK14RAF1
SCHEMBL9892893 0.85 CNR2 (0.55) CNR2CNR1ALDH1A1MAPK14RAF1
SCHEMBL12566542 0.85 CNR2 (0.61) CNR2CNR1ALDH1A1MAPK14RAF1
SCHEMBL12566972 0.84 CNR2 (0.43) CNR2CNR1ALDH1A1MAPK14
SCHEMBL9891815 0.84 CNR2 (0.54) CNR2CNR1ALDH1A1MAPK14

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
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-8362039-B2 Therapeutic uses of compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20110312932-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-8048899-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-01 US disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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 (3 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-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885ALDH1A1 2112/4885
US-20110312932-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885ALDH1A1 1813/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885ALDH1A1 3279/4885

“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.