SCHEMBL9891808

SCHEMBL9891808

CC(C)C(=O)Nc1cc(C(C)(C)C)no1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.67
MAPK14 Q16539 7/20 0.56
CNR2 P34972 10/20 0.54
RAF1 P04049 1/20 0.49
CNR1 P21554 3/20 0.45
MAPK13 O15264 1/20 0.43
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL10171265 0.89 ALDH1A1 (0.53) ALDH1A1MAPK14CNR2RAF1CNR1
SCHEMBL12566646 0.86 ALDH1A1 (0.50) ALDH1A1MAPK14CNR2RAF1CNR1
SCHEMBL9891815 0.86 CNR2 (0.54) ALDH1A1MAPK14CNR2CNR1
SCHEMBL2257558 0.86 ALDH1A1 (0.66) ALDH1A1MAPK14CNR2RAF1CNR1
SCHEMBL13413814 0.86 ALDH1A1 (0.50) ALDH1A1MAPK14CNR2RAF1CNR1
SCHEMBL14693072 0.86 ALDH1A1 (0.50) ALDH1A1MAPK14CNR2RAF1CNR1
SCHEMBL9891929 0.85 EPHX2 (0.51) ALDH1A1MAPK14CNR2CNR1
SCHEMBL13413823 0.83 ALDH1A1 (0.48) ALDH1A1MAPK14CNR2RAF1CNR1
SCHEMBL9893018 0.83 ALDH1A1 (0.71) ALDH1A1MAPK14CNR2RAF1CNR1
SCHEMBL2635371 0.83 ALDH1A1 (0.71) ALDH1A1MAPK14CNR2RAF1CNR1

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 3 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20110136869-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-09 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 (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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 3279/4885MAPK14 1949/4885CNR2 1/4885
US-20110136869-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 2112/4885MAPK14 1381/4885CNR2 1/4885

“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.