SCHEMBL17645199

SCHEMBL17645199

Cc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)nn(CCCCCCO[N+](=O)[O-])c1-c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.75
CNR1 P21554 12/20 0.75

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
SCHEMBL17645271 1.00 CNR2 (0.75) CNR2CNR1
SCHEMBL29704523 0.86 CNR2 (1.00) CNR2CNR1
SCHEMBL12053914 0.85 CNR2 (0.84) CNR2CNR1
SCHEMBL12053870 0.85 CNR2 (0.84) CNR2CNR1
SCHEMBL12053849 0.85 CNR2 (0.84) CNR2CNR1
SCHEMBL17645186 0.83 CNR2 (0.51) CNR2CNR1
SCHEMBL12062977 0.83 CNR2 (0.80) CNR2CNR1
SCHEMBL12053920 0.81 CNR2 (0.76) CNR2CNR1
SCHEMBL17645275 0.79 CNR1 (0.47) CNR2CNR1
SCHEMBL17645274 0.79 CNR1 (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053444-B2 Cannabinergic nitrate esters and related analogs UNIVERSITY OF CONNECTICUT (US) 2018-08-21 US disclosed
US-20170001980-A9 Novel Cannabinergic Nitrate Esters and Related Analogs UNIVERSITY OF CONNECTICUT 2017-01-05 US disclosed
US-20160096822-A1 Novel Cannabinergic Nitrate Esters and Related Analogs MAKRIYANNIS ALEXANDROS (US) 2016-04-07 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 (3 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-10053444-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, NOS3 CNR2 1/4885CNR1 2/4885
US-20160096822-A1 Novel Cannabinergic Nitrate Esters and Related Analogs CNR2, CNR1, CHRNB4 CNR2 1/4885CNR1 2/4885
US-20170001980-A9 Novel Cannabinergic Nitrate Esters and Related Analogs CNR2, CNR1, CHRNB4 CNR2 1/4885CNR1 2/4885

“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.