SCHEMBL16201689

SCHEMBL16201689

CCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21

nearest known ligand 0.98

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.98
CNR1 P21554 6/20 0.98

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
SCHEMBL29988966 1.00 CNR2 (0.98) CNR2CNR1
SCHEMBL29362566 1.00 CNR2 (0.98) CNR2CNR1
SCHEMBL16201691 1.00 CNR2 (0.98) CNR2CNR1
SCHEMBL29361900 0.99 CNR2 (1.00) CNR2CNR1
SCHEMBL1707018 0.99 CNR2 (1.00) CNR2CNR1
SCHEMBL29375790 0.95 CNR2 (1.00) CNR2CNR1
SCHEMBL11983320 0.95 CNR2 (1.00) CNR2CNR1
SCHEMBL6325191 0.90 CNR2 (1.00) CNR2CNR1
SCHEMBL29988839 0.90 CNR2 (1.00) CNR2CNR1
SCHEMBL11983311 0.89 CNR2 (0.78) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220026380-A1 NUCLEAR MAGNETIC RESONANCE IMPLEMENTED SYNTHETIC INDOLE AND INDAZOLE CANNABINOID DETECTION, IDENTIFICATION, AND QUANTIFICATION HOFSTRA UNIVERSITY (US) 2022-01-27 US disclosed
EP-2989452-B1 NUCLEAR MAGNETIC RESONANCE BASED SYNTHETIC INDOLE AND INDAZOLE CANNABINOID DETECTION, IDENTIFICATION, AND QUANTIFICATION HOFSTRA UNIV (US) 2021-09-29 EP disclosed
US-11085891-B2 Nuclear magnetic resonance implemented synthetic indole and indazole cannabinoid detection, identification, and quantification HOFSTRA UNIVERSITY (US) 2021-08-10 US disclosed
WO-2020232350-A1 ASSAYS FOR SYNTHETIC CANNABINOIDS THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-11-19 WO disclosed
WO-2020232350-A1 ASSAYS FOR SYNTHETIC CANNABINOIDS THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-11-19 WO disclosed
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-20160084779-A1 NUCLEAR MAGNETIC RESONANCE IMPLEMENTED SYNTHETIC INDOLE AND INDAZOLE CANNABINOID DETECTION, IDENTIFICATION, AND QUANTIFICATION HOFSTRA UNIVERSITY (US) 2016-03-24 US disclosed
US-20160084779-A1 NUCLEAR MAGNETIC RESONANCE IMPLEMENTED SYNTHETIC INDOLE AND INDAZOLE CANNABINOID DETECTION, IDENTIFICATION, AND QUANTIFICATION HOFSTRA UNIVERSITY (US) 2016-03-24 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
US-20150152348-A1 SYSTEMS AND METHODS FOR COLLECTING, TRANSPORTING AND REPURPOSING OR DESTROYING UNUSED PHARMACEUTICALS SHARPS COMPLIANCE, INC. OF TEXAS 2015-06-04 US disclosed
WO-2014176542-A1 NUCLEAR MAGNETIC RESONANCE IMPLEMANTED SYNTHETIC INDOLE AND INDAZOLE CANNABINOID DENTECTION, IDENTIFICATION, AND QUANTIFICATION HOFSTRA UNIVERSITY (US) 2014-10-30 WO 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 2/4885
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 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.