SCHEMBL4934065

SCHEMBL4934065

CC(C)(C)C(=O)CNC(=O)c1nn(-c2ccc(Br)cc2)c2c1C1CCC2C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.46
CNR1 P21554 2/20 0.46
EGLN1 Q9GZT9 1/20 0.34
SMPD1 P17405 1/20 0.33
PPARA Q07869 1/20 0.33
HDAC1 Q13547 1/20 0.33
HCRTR2 O43614 1/20 0.33
RIPK1 Q13546 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL4933699 0.90 CNR2 (0.46) CNR2CNR1
SCHEMBL4936760 0.90 CNR2 (0.56) CNR2CNR1
SCHEMBL4925560 0.88 CNR1 (0.45) CNR2CNR1
SCHEMBL4936675 0.86 CNR2 (0.44) CNR2CNR1
SCHEMBL4933139 0.85 CNR2 (0.62) CNR2CNR1SMPD1PPARARIPK1
SCHEMBL1432656 0.85 CNR2 (0.62) CNR2CNR1SMPD1PPARARIPK1
SCHEMBL4936650 0.85 CNR2 (0.62) CNR2CNR1SMPD1PPARARIPK1
SCHEMBL4932862 0.84 CNR2 (0.53) CNR2CNR1
SCHEMBL1431457 0.82 HDAC1 (0.43) CNR2CNR1HDAC1
SCHEMBL4935557 0.81 CNR2 (0.57) CNR2CNR1RIPK1

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 2/4885EGLN1 1081/4885

“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.