SCHEMBL9892872

SCHEMBL9892872

CCc1cc(C(C)(C)COC)on1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.34
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
EPHX2 P34913 1/20 0.31
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30
CHRNA1 P02708 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30

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
SCHEMBL14724231 0.80 MEN1 (0.34) BRAFCNR1CNR2CHRNB4CHRNA3
SCHEMBL9610944 0.79 MEN1 (0.44) EPHX2MAPK14
SCHEMBL9891486 0.79 ALDH1A1 (0.35) BRAFCNR1CNR2MAPK14
SCHEMBL1013430 0.79 BRAF (0.32) BRAFCNR1CNR2
SCHEMBL14723927 0.76 ALDH1A1 (0.36) BRAFCNR1CNR2EPHX2
SCHEMBL19480811 0.76 CHRNA1 (0.32) EPHX2CHRNA1CHRNB4CHRNA3CHRNA7
SCHEMBL3709322 0.73 SIRT6 (0.36) BRAFCNR1CNR2MAPK13MAPK12
SCHEMBL14394656 0.73 L3MBTL1 (0.33) EPHX2CHRNA1CHRNB4CHRNA3CHRNA7
SCHEMBL21671072 0.73 CHRNA1 (0.31) CHRNA1CHRNB4CHRNA3CHRNA7
SCHEMBL9892787 0.72 EGFR (0.52) BRAFEPHX2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 BRAF 4446/4885CNR1 2/4885CNR2 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.