SCHEMBL17388647

SCHEMBL17388647

C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C(C)(C)C(=O)OCCCCO[N+](=O)[O-])cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 13/20 0.50
▸ CNR1 P21554 12/20 0.50
▸ OPRM1 P35372 8/20 0.49
▸ TRPV1 Q8NER1 3/20 0.48
▸ CYP1A1 P04798 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ CYP2B6 P20813 2/20 0.48
▸ SLC6A2 P23975 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ SLC6A3 Q01959 2/20 0.48
▸ TRPM8 Q7Z2W7 2/20 0.48
▸ GPR55 Q9Y2T6 2/20 0.48
▸ MLNR O43193 1/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ PDE9A O76083 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ LDHA P00338 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48

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
SCHEMBL15995873 0.99 CNR2 (0.49) CNR2CNR1OPRM1TRPV1CYP1A1
SCHEMBL15995771 0.99 CNR2 (0.49) CNR2CNR1OPRM1TRPV1CYP1A1
SCHEMBL15995872 0.99 CNR2 (0.49) CNR2CNR1OPRM1TRPV1CYP1A1
SCHEMBL15995614 0.98 CNR2 (0.50) CNR2CNR1OPRM1TRPV1CYP1A1
SCHEMBL15996089 0.95 CNR2 (0.52) CNR2CNR1OPRM1TRPV1CYP1A1
SCHEMBL15996087 0.95 CNR2 (0.52) CNR2CNR1OPRM1TRPV1CYP1A1
SCHEMBL17388478 0.91 BCHE (0.44) CNR2CNR1OPRM1
SCHEMBL17388477 0.91 BCHE (0.44) CNR2CNR1OPRM1
SCHEMBL17388619 0.91 CNR2 (0.49) CNR2CNR1OPRM1TRPV1CYP1A1
SCHEMBL17388374 0.90 CNR2 (0.49) CNR2CNR1OPRM1TRPV1CYP1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CNR2 1/4885CNR1 2/4885OPRM1 42/4885
US-10968206-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, CHRNB3 CNR2 1/4885CNR1 2/4885OPRM1 42/4885
US-10221164-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, CHRNB3 CNR2 1/4885CNR1 2/4885OPRM1 42/4885
US-20190225596-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 CNR2 1/4885CNR1 2/4885OPRM1 42/4885
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 CNR2 1/4885CNR1 2/4885OPRM1 42/4885

“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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