SCHEMBL17388193

SCHEMBL17388193

Cc1cc(C)cc(-c2ccc(C(C)(C)CCCCCCO[N+](=O)OCCCCCCC(C)(C)c3ccc(-c4cc(C)cc(C)c4)c(O)c3)cc2O)c1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 20/20 0.68
▸ CNR2 P34972 20/20 0.68

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
SCHEMBL15994565 0.91 CNR1 (0.65) CNR1CNR2
SCHEMBL17388674 0.86 CNR2 (0.67) CNR1CNR2
SCHEMBL17388500 0.84 CNR2 (0.64) CNR1CNR2
SCHEMBL4885068 0.81 CNR2 (1.00) CNR1CNR2
SCHEMBL15995461 0.77 CNR2 (0.64) CNR1CNR2
SCHEMBL15995288 0.75 CNR2 (0.62) CNR1CNR2
SCHEMBL15995112 0.73 CNR1 (0.45) CNR1CNR2
SCHEMBL15995377 0.70 CNR2 (0.58) CNR1CNR2
SCHEMBL15995068 0.70 CNR2 (0.58) CNR1CNR2
SCHEMBL15995091 0.70 CNR2 (0.58) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580400-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2017-02-28 — — US claimed
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 claimed
US-10968206-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2021-04-06 — — US disclosed
US-20190225596-A1 Cannabinergic Nitrate Esters And Related Analogs NORTHEASTERN UNIVERSITY 2019-07-25 — — US disclosed
US-10221164-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2019-03-05 — — US 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-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 (5 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 CNR1 2/4885CNR2 1/4885
US-10968206-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, CHRNB3 CNR1 2/4885CNR2 1/4885
US-10221164-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, CHRNB3 CNR1 2/4885CNR2 1/4885
US-20190225596-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 CNR1 2/4885CNR2 1/4885
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 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.

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