SCHEMBL9892942

SCHEMBL9892942

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.53
CNR1 P21554 7/20 0.53
ALDH1A1 P00352 3/20 0.49
MAPK14 Q16539 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
RPS6KA2 Q15349 1/20 0.42
LMNA P02545 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
SCHEMBL26789822 0.86 ALDH1A1 (0.53) CNR2CNR1ALDH1A1MAPK14SMN1; SMN2
SCHEMBL9892786 0.86 ALDH1A1 (0.65) CNR2CNR1ALDH1A1MAPK14SMN1; SMN2
SCHEMBL14647382 0.85 ALDH1A1 (0.51) CNR2CNR1ALDH1A1MAPK14SMN1; SMN2
SCHEMBL13392769 0.85 CNR2 (0.55) CNR2CNR1ALDH1A1MAPK14RPS6KA2
SCHEMBL9958104 0.85 CNR2 (0.58) CNR2CNR1ALDH1A1MAPK14RPS6KA2
SCHEMBL9892893 0.85 CNR2 (0.55) CNR2CNR1ALDH1A1MAPK14SMN1; SMN2
SCHEMBL9891815 0.84 CNR2 (0.54) CNR2CNR1ALDH1A1MAPK14RPS6KA2
SCHEMBL30486167 0.84 CNR2 (0.54) CNR2CNR1ALDH1A1MAPK14RPS6KA2
SCHEMBL9891520 0.84 CNR2 (0.60) CNR2CNR1ALDH1A1MAPK14RPS6KA2
SCHEMBL12566298 0.82 CNR2 (0.59) CNR2CNR1ALDH1A1MAPK14RPS6KA2

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-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

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 CNR2 1/4885CNR1 2/4885ALDH1A1 1724/4885
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.