SCHEMBL17388476

SCHEMBL17388476

C=C(C)C1CCC(C)=CC1c1c(O)cc(C(F)(F)C(=O)OCCCCO[N+](=O)[O-])cc1OC(=O)CCCO[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.43
▸ CNR2 P34972 6/20 0.43
▸ CNR1 P21554 6/20 0.43
▸ OPRM1 P35372 3/20 0.40

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
SCHEMBL18537818 1.00 BCHE (0.43) BCHECNR2CNR1OPRM1
SCHEMBL17388475 1.00 BCHE (0.43) BCHECNR2CNR1OPRM1
SCHEMBL17388478 0.92 BCHE (0.44) BCHECNR2CNR1OPRM1
SCHEMBL17388477 0.92 BCHE (0.44) BCHECNR2CNR1OPRM1
SCHEMBL17388619 0.91 CNR2 (0.49) CNR2CNR1OPRM1
SCHEMBL17388374 0.90 CNR2 (0.49) CNR2CNR1OPRM1
SCHEMBL15995651 0.90 CNR2 (0.49) CNR2CNR1OPRM1
SCHEMBL17388143 0.90 BCHE (0.40) BCHECNR2CNR1OPRM1
SCHEMBL17388290 0.89 CNR2 (0.49) CNR2CNR1OPRM1
SCHEMBL17388403 0.89 BCHE (0.41) BCHECNR2CNR1OPRM1

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 4 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-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 BCHE 117/4885CNR2 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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