SCHEMBL17414512

SCHEMBL17414512

CCCCCCn1c(C)c(C(=O)c2ccc(OC)cc2)c2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.74
CNR1 P21554 5/20 0.65
SLC6A3 Q01959 1/20 0.61

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
SCHEMBL15995414 0.90 CNR1 (0.64) CNR2CNR1
SCHEMBL9691719 0.89 CNR1 (0.66) CNR2CNR1
SCHEMBL11156819 0.88 CNR2 (0.72) CNR2CNR1SLC6A3
SCHEMBL11153861 0.88 CNR2 (0.72) CNR2CNR1SLC6A3
SCHEMBL11152725 0.88 CNR2 (0.72) CNR2CNR1SLC6A3
SCHEMBL11150831 0.88 CNR2 (0.72) CNR2CNR1SLC6A3
SCHEMBL9035533 0.87 CNR1 (0.66) CNR2CNR1
SCHEMBL11155933 0.86 CNR2 (0.73) CNR2CNR1SLC6A3
SCHEMBL15995881 0.86 CNR1 (0.59) CNR2CNR1
SCHEMBL9037475 0.85 CNR1 (0.70) 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-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs NORTHEASTERN UNIVERSITY 2017-07-27 US disclosed
US-9580400-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2017-02-28 US disclosed
US-20160002195-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 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 (2 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-20160002195-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS CNR2, CNR1, CHRNB3 CNR2 1/4885CNR1 2/4885SLC6A3 136/4885
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 CNR2 1/4885CNR1 2/4885SLC6A3 136/4885

“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.