SCHEMBL17645121

SCHEMBL17645121

COc1c(C(=O)NN2CCOCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#CCCO[N+](=O)[O-])s1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.58
CNR2 P34972 20/20 0.58

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
SCHEMBL17645119 0.93 CNR1 (0.67) CNR1CNR2
SCHEMBL17645405 0.92 CNR1 (0.69) CNR1CNR2
SCHEMBL17645279 0.92 CNR1 (0.57) CNR1CNR2
SCHEMBL17645256 0.87 CNR1 (0.58) CNR1CNR2
SCHEMBL17645331 0.85 CNR1 (0.79) CNR1CNR2
SCHEMBL17645207 0.84 CNR1 (0.48) CNR1CNR2
SCHEMBL17645366 0.84 CNR1 (0.68) CNR1CNR2
SCHEMBL17645142 0.83 CNR1 (0.58) CNR1CNR2
SCHEMBL17645293 0.81 CNR1 (0.69) CNR1CNR2
SCHEMBL17645204 0.81 CNR1 (0.68) CNR1CNR2

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 CNR1 2/4885CNR2 1/4885
US-20160096822-A1 Novel Cannabinergic Nitrate Esters and Related Analogs CNR2, CNR1, CHRNB4 CNR1 2/4885CNR2 1/4885
US-20170001980-A9 Novel Cannabinergic Nitrate Esters and Related Analogs CNR2, CNR1, CHRNB4 CNR1 2/4885CNR2 1/4885

“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.