SCHEMBL17645339

SCHEMBL17645339

Cc1c(C(=O)NC2(C#N)CC2)nc(CCCCCO[N+](=O)[O-])n1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.44
CNR1 P21554 4/20 0.44
HTR2A P28223 6/20 0.36
HTR2C P28335 6/20 0.36
SLC6A4 P31645 6/20 0.36
ACSS2 Q9NR19 1/20 0.35
PTGS2 P35354 2/20 0.35
GABRA5 P31644 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 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
SCHEMBL17645261 0.83 CNR2 (0.67) CNR2CNR1
SCHEMBL17645148 0.78 CNR1 (0.38) CNR2CNR1HTR2AHTR2CSLC6A4
SCHEMBL17645147 0.78 CNR1 (0.38) CNR2CNR1HTR2AHTR2CSLC6A4
SCHEMBL17645170 0.78 CNR2 (0.40) CNR2CNR1HTR2AHTR2CSLC6A4
SCHEMBL17645169 0.78 CNR2 (0.40) CNR2CNR1HTR2AHTR2CSLC6A4
SCHEMBL17645186 0.75 CNR2 (0.51) CNR2CNR1HTR2A
SCHEMBL17645184 0.69 CNR1 (0.46) CNR2CNR1
SCHEMBL15995909 0.69 CNR2 (0.53) CNR2CNR1
SCHEMBL15995910 0.62 CNR2 (0.54) CNR2CNR1
SCHEMBL16404236 0.62 CNR2 (1.00) 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 2/4885HTR2A 902/4885
US-20160096822-A1 Novel Cannabinergic Nitrate Esters and Related Analogs CNR2, CNR1, CHRNB4 CNR2 1/4885CNR1 2/4885HTR2A 721/4885
US-20170001980-A9 Novel Cannabinergic Nitrate Esters and Related Analogs CNR2, CNR1, CHRNB4 CNR2 1/4885CNR1 2/4885HTR2A 721/4885

“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.