SCHEMBL4925541

SCHEMBL4925541

CC(C)(C)NC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c2c1C1CCC2C1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.58
CNR1 P21554 1/20 0.58
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RIPK1 Q13546 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 7/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4936675 0.86 CNR2 (0.44) CNR2CNR1ALDH1A1KDM4ETDP1
SCHEMBL4933934 0.86 CNR2 (0.63) CNR2CNR1RIPK1LMNA
SCHEMBL4934575 0.85 CNR2 (0.62) CNR2CNR1RIPK1
SCHEMBL4924777 0.85 CNR2 (0.62) CNR2CNR1RIPK1TDP1MAPT
SCHEMBL4933139 0.85 CNR2 (0.62) CNR2CNR1RIPK1KMT2APOLB
SCHEMBL4933177 0.85 CNR2 (0.62) CNR2CNR1SMN1; SMN2RIPK1POLB
SCHEMBL4935120 0.85 CNR2 (0.62) CNR2CNR1RIPK1TDP1MAPT
SCHEMBL1432161 0.85 CNR2 (0.62) CNR2CNR1RIPK1TDP1MAPT
SCHEMBL1432263 0.85 CNR2 (0.74) CNR2CNR1SMN1; SMN2RIPK1KMT2A
SCHEMBL1432656 0.85 CNR2 (0.62) CNR2CNR1RIPK1KMT2APOLB

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 2/4885ALDH1A1 4441/4885

“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.