SCHEMBL4936675

SCHEMBL4936675

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.44
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 7/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 1/20 0.35
CA9 Q16790 1/20 0.35
KHK P50053 1/20 0.34

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
SCHEMBL4936760 0.86 CNR2 (0.56) CNR2CNR1LMNAKMT2A
SCHEMBL4925541 0.86 CNR2 (0.58) CNR2CNR1HTTLMNAMAPT
SCHEMBL4934065 0.86 CNR2 (0.46) CNR2CNR1
SCHEMBL4933699 0.86 CNR2 (0.46) CNR2CNR1LMNAMAPTPOLB
SCHEMBL4933802 0.81 KDM4E (0.46) CNR2CNR1HTTLMNAMAPT
SCHEMBL4934264 0.79 MAPT (0.59) HTTLMNAMAPTALDH1A1L3MBTL1
SCHEMBL4935557 0.78 CNR2 (0.57) CNR2CNR1
SCHEMBL4936705 0.77 CNR2 (0.75) CNR2CNR1
SCHEMBL4934001 0.77 CNR2 (0.75) CNR2CNR1
SCHEMBL4934270 0.77 CNR2 (0.75) CNR2CNR1

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 2/4885HTT 465/4885

“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.