SCHEMBL17388329

SCHEMBL17388329

CC(C)(CCCCCO[N+](=O)[O-])c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCC(CO)=C[C@H]21

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 2/20 0.74
▸ CNR2 P34972 11/20 0.59
▸ CNR1 P21554 8/20 0.59
▸ NR1I2 O75469 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ GLRA1 P23415 1/20 0.50

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
SCHEMBL31546114 1.00 DRD3 (0.74) DRD3CNR2CNR1NR1I2ADORA3
SCHEMBL17388532 1.00 DRD3 (0.74) DRD3CNR2CNR1NR1I2ADORA3
SCHEMBL31545238 1.00 DRD3 (0.74) DRD3CNR2CNR1NR1I2ADORA3
SCHEMBL17388428 0.99 DRD3 (0.72) DRD3CNR2CNR1NR1I2ADORA3
SCHEMBL31545930 0.99 DRD3 (0.72) DRD3CNR2CNR1NR1I2ADORA3
SCHEMBL31545000 0.97 DRD3 (0.71) DRD3CNR2CNR1NR1I2ADORA3
SCHEMBL17388682 0.97 DRD3 (0.71) DRD3CNR2CNR1NR1I2ADORA3
SCHEMBL17388506 0.93 DRD3 (0.68) DRD3CNR2CNR1NR1I2ADORA3
SCHEMBL31545575 0.93 DRD3 (0.68) DRD3CNR2CNR1NR1I2ADORA3
SCHEMBL17388117 0.90 CNR2 (0.73) DRD3CNR2CNR1NR1I2ADORA3

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 2 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 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 (1 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 DRD3 552/4885CNR2 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.

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