SCHEMBL17645170

SCHEMBL17645170

Cc1c(C(=O)NC2CCS(=O)(=O)CC2)nc(CCCCCO[N+](=O)[O-])n1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.40
CNR1 P21554 4/20 0.40
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2A P28223 8/20 0.38
HTR2C P28335 8/20 0.38
SLC6A4 P31645 7/20 0.38
TMEM97 Q5BJF2 2/20 0.37
RIPK1 Q13546 1/20 0.36
PTGS2 P35354 1/20 0.36
GABRA5 P31644 1/20 0.35

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
SCHEMBL17645169 0.93 CNR2 (0.40) CNR2CNR1HTR2AHTR2CSLC6A4
SCHEMBL17645148 0.86 CNR1 (0.38) CNR2CNR1HTR2AHTR2CSLC6A4
SCHEMBL17645147 0.81 CNR1 (0.38) CNR2CNR1HTR2AHTR2CSLC6A4
SCHEMBL17645261 0.79 CNR2 (0.67) CNR2CNR1
SCHEMBL17645339 0.78 CNR2 (0.44) CNR2CNR1HTR2AHTR2CSLC6A4
SCHEMBL17645275 0.75 CNR1 (0.47) CNR2CNR1
SCHEMBL17645274 0.69 CNR1 (0.47) CNR2CNR1
SCHEMBL16404223 0.65 CNR2 (0.65) CNR2CNR1SMN1; SMN2
SCHEMBL17645425 0.61 CNR1 (0.60) CNR2CNR1
SCHEMBL600669 0.58 CA12 (0.46)

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 2/4885LMNA 2197/4885
US-20160096822-A1 Novel Cannabinergic Nitrate Esters and Related Analogs CNR2, CNR1, CHRNB4 CNR2 1/4885CNR1 2/4885LMNA 2791/4885
US-20170001980-A9 Novel Cannabinergic Nitrate Esters and Related Analogs CNR2, CNR1, CHRNB4 CNR2 1/4885CNR1 2/4885LMNA 2791/4885

“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.