SCHEMBL4934332

SCHEMBL4934332

O=C(O)c1nn(-c2cc(F)cc(F)c2)c2c1C1CCC2C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.47
CNR1 P21554 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.40
HCAR2 Q8TDS4 3/20 0.33
ATM Q13315 2/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
KMT2A Q03164 2/20 0.31
RIPK1 Q13546 2/20 0.31
KCNJ6 P48051 1/20 0.31
KCNJ3 P48549 1/20 0.31
MGLL Q99685 1/20 0.31
MAPK1 P28482 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
SCHEMBL4924590 0.87 CNR2 (0.53) CNR2CNR1SMN1; SMN2HCAR2RIPK1
SCHEMBL1431859 0.87 SMN1; SMN2 (0.53) CNR2CNR1SMN1; SMN2ATMKEAP1
SCHEMBL1431678 0.82 KEAP1 (0.49) CNR2CNR1SMN1; SMN2KEAP1NFE2L2
SCHEMBL4926412 0.82 CNR2 (0.71) CNR2CNR1ATMRIPK1
SCHEMBL4925578 0.82 CNR1 (0.45) CNR2CNR1KMT2A
SCHEMBL4925586 0.81 CNR2 (0.54) CNR2CNR1SMN1; SMN2HCAR2
SCHEMBL4931402 0.80 CNR2 (0.72) CNR2CNR1
SCHEMBL1431958 0.80 CNR2 (0.72) CNR2CNR1
SCHEMBL4934195 0.80 CNR2 (0.72) CNR2CNR1
SCHEMBL4929226 0.79 ALDH1A1 (0.48) CNR2CNR1SMN1; SMN2KEAP1NFE2L2

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-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2008-08-21 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-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885SMN1; SMN2 893/4885

“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.