SCHEMBL17388117

SCHEMBL17388117

CC1=C[C@H]2c3c(O)cc(C(C)(C)CCCCCCCO[N+](=O)[O-])cc3OC(C)(C)[C@@H]2CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 17/20 0.73
▸ CNR1 P21554 15/20 0.73
▸ DRD3 P35462 2/20 0.59
▸ NR1I2 O75469 2/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ TRPM8 Q7Z2W7 2/20 0.52
▸ GPR55 Q9Y2T6 2/20 0.52
▸ TRPA1 O75762 1/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ TRPV1 Q8NER1 1/20 0.52
▸ TRPV3 Q8NET8 1/20 0.52
▸ TRPV6 Q9H1D0 1/20 0.52
▸ TRPV4 Q9HBA0 1/20 0.52
▸ TRPV5 Q9NQA5 1/20 0.52
▸ TRPV2 Q9Y5S1 1/20 0.52
▸ ABHD12 Q8N2K0 3/20 0.51
▸ ABHD6 Q9BV23 3/20 0.51
▸ FAAH O00519 2/20 0.51
▸ LDHA P00338 1/20 0.51

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
SCHEMBL31545028 1.00 CNR2 (0.73) CNR2CNR1DRD3NR1I2ADORA3
SCHEMBL17388615 1.00 CNR2 (0.73) CNR2CNR1DRD3NR1I2ADORA3
SCHEMBL31545392 1.00 CNR2 (0.73) CNR2CNR1DRD3NR1I2ADORA3
SCHEMBL31546035 1.00 CNR2 (0.73) CNR2CNR1DRD3NR1I2ADORA3
SCHEMBL17388555 1.00 CNR2 (0.73) CNR2CNR1DRD3NR1I2ADORA3
SCHEMBL17388530 0.99 CNR2 (0.71) CNR2CNR1DRD3NR1I2ADORA3
SCHEMBL31545396 0.99 CNR2 (0.71) CNR2CNR1DRD3NR1I2ADORA3
SCHEMBL17388352 0.97 CNR2 (0.70) CNR2CNR1DRD3NR1I2TRPM8
SCHEMBL31545153 0.97 CNR2 (0.70) CNR2CNR1DRD3NR1I2TRPM8
SCHEMBL17388296 0.93 CNR2 (0.67) CNR2CNR1DRD3NR1I2TRPM8

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 CNR2 1/4885CNR1 2/4885DRD3 552/4885

“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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