SCHEMBL9892786

SCHEMBL9892786

CCC(=O)Nc1cc(C(C)(C)C)no1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
MAPK14 Q16539 6/20 0.55
CNR2 P34972 9/20 0.53
RAF1 P04049 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
MAPK13 O15264 1/20 0.45
CNR1 P21554 2/20 0.44
LMNA P02545 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL26789822 0.90 ALDH1A1 (0.53) ALDH1A1MAPK14CNR2SMN1; SMN2CNR1
SCHEMBL14647382 0.89 ALDH1A1 (0.51) ALDH1A1MAPK14CNR2RAF1SMN1; SMN2
SCHEMBL11114594 0.88 ALDH1A1 (0.67) ALDH1A1MAPK14CNR2RAF1MAPK13
SCHEMBL9892942 0.86 CNR2 (0.53) ALDH1A1MAPK14CNR2SMN1; SMN2CNR1
SCHEMBL4442892 0.86 ALDH1A1 (0.65) ALDH1A1MAPK14CNR2RAF1SMN1; SMN2
SCHEMBL9892898 0.86 EPHX2 (0.50) ALDH1A1MAPK14CNR2SMN1; SMN2CNR1
SCHEMBL20458272 0.86 ALDH1A1 (0.63) ALDH1A1MAPK14CNR2RAF1SMN1; SMN2
SCHEMBL12566533 0.85 ALDH1A1 (0.48) ALDH1A1MAPK14CNR2RAF1SMN1; SMN2
SCHEMBL9892893 0.83 CNR2 (0.55) ALDH1A1MAPK14CNR2RAF1SMN1; SMN2
SCHEMBL9893018 0.81 ALDH1A1 (0.71) ALDH1A1MAPK14CNR2RAF1MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 EP disclosed
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
WO-2009105509-A1 AMINE AND ETHER COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 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 (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-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 1724/4885MAPK14 1715/4885CNR2 1/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 3279/4885MAPK14 1949/4885CNR2 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.