SCHEMBL15995148

SCHEMBL15995148

Cc1cc(C)cc(-c2c(O)cc(C(F)(F)C(=O)OCCCCO[N+](=O)[O-])cc2O)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.48
▸ CNR1 P21554 5/20 0.46
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ PTGS2 P35354 4/20 0.35
▸ ESR2 Q92731 1/20 0.33

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
SCHEMBL15995212 0.88 CNR2 (0.65) CNR2CNR1CA12CA1CA2
SCHEMBL17388286 0.86 CNR2 (0.65) CNR2CNR1CA12CA1CA2
SCHEMBL15995288 0.80 CNR2 (0.62) CNR2CNR1
SCHEMBL15995461 0.79 CNR2 (0.64) CNR2CNR1
SCHEMBL15995078 0.75 CNR2 (0.43) CNR2CNR1PTGS2
SCHEMBL17388619 0.71 CNR2 (0.49) CNR2CNR1PTGS2
SCHEMBL17414505 0.71 CNR2 (0.78) CNR2CNR1
SCHEMBL17388374 0.70 CNR2 (0.49) CNR2CNR1PTGS2
SCHEMBL15995651 0.70 CNR2 (0.49) CNR2CNR1PTGS2
SCHEMBL16002345 0.70 CNR2 (0.72) CNR2CNR1

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 10 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
WO-2014134127-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS NORTHEASTERN UNIVERSITY (US) 2014-09-04 — — WO 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
WO-2014134127-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS NORTHEASTERN UNIVERSITY (US) 2014-09-04 — — WO 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 2/4885CA12 2046/4885
US-10968206-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, CHRNB3 CNR2 1/4885CNR1 2/4885CA12 2046/4885
US-10221164-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, CHRNB3 CNR2 1/4885CNR1 2/4885CA12 2046/4885
US-20190225596-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 CNR2 1/4885CNR1 2/4885CA12 2046/4885
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 CNR2 1/4885CNR1 2/4885CA12 2046/4885

“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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