SCHEMBL17388587

SCHEMBL17388587

O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(CCCI)c2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.79
CNR1 P21554 10/20 0.79
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52

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
SCHEMBL13502771 0.97 CNR2 (0.81) CNR2CNR1HDAC1HDAC6
SCHEMBL17388191 0.90 CNR2 (0.81) CNR2CNR1HDAC1HDAC6
SCHEMBL24222016 0.88 CNR2 (0.81) CNR2CNR1HDAC1HDAC6
SCHEMBL31052991 0.88 CNR2 (0.81) CNR2CNR1HDAC1HDAC6
SCHEMBL16755272 0.88 CNR2 (1.00) CNR2CNR1
SCHEMBL13502770 0.88 CNR2 (0.81) CNR2CNR1HDAC1HDAC6
SCHEMBL29359055 0.88 CNR2 (1.00) CNR2CNR1
SCHEMBL17297543 0.88 CNR2 (0.80) CNR2CNR1HDAC1HDAC6
SCHEMBL29019200 0.88 CNR2 (0.80) CNR2CNR1HDAC1HDAC6
SCHEMBL13502772 0.87 CNR2 (0.78) CNR2CNR1HDAC1HDAC6

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 15 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-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-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-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-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs NORTHEASTERN UNIVERSITY 2017-07-27 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-9580400-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2017-02-28 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
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
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 2/4885HDAC1 2512/4885
US-10968206-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, CHRNB3 CNR2 1/4885CNR1 2/4885HDAC1 2512/4885
US-10221164-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, CHRNB3 CNR2 1/4885CNR1 2/4885HDAC1 2512/4885
US-20190225596-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 CNR2 1/4885CNR1 2/4885HDAC1 2512/4885
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 CNR2 1/4885CNR1 2/4885HDAC1 2512/4885

“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.