SCHEMBL21054688

SCHEMBL21054688

O=[N+]([O-])C1C(O)COCC1O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
GSR P00390 3/20 0.33
CA2 P00918 1/20 0.32

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
SCHEMBL23515650 1.00 MAPT (0.34) MAPTGSRCA2
Nitric Acid SCHEMBL10869722 0.79 CA5A (0.44) MAPTGSRCA2
SCHEMBL19551024 0.72 GSR (0.45) GSRCA2
SCHEMBL16254272 0.72 GSR (0.45) GSRCA2
SCHEMBL3666798 0.72 GSR (0.45) GSRCA2
SCHEMBL16238007 0.72 GSR (0.45) GSRCA2
SCHEMBL19551025 0.72 GSR (0.45) GSRCA2
Nitric Acid SCHEMBL10346445 0.69 CA5A (0.33) MAPT
SCHEMBL23284422 0.67
SCHEMBL209944 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324876-A1 4-SUBSTITUTED PYRANO[3,4,b]PYRAZINE KAPPA AGONISTS FOR TREATING DRUG DEPENDENCY THE ROCKEFELLER UNIVERSITY 2022-10-13 US disclosed
EP-3980018-A1 4-SUBSTITUTED PYRANO[3,4,B]PYRAZINE KAPPA AGONISTS FOR TREATING DRUG DEPENDENCY The Rockefeller University (US) 2022-04-13 EP disclosed
US-11091497-B2 Pyrano[3,4-b]pyrazine kappa opioid receptor ligands for treating addiction, pruritus, pain, and inflammation THE ROCKEFELLER UNIVERSITY (US) 2021-08-17 US disclosed
US-20210179629-A1 PYRANO[3,4-b]PYRAZINE KAPPA OPIOID RECEPTOR LIGANDS FOR TREATING ADDICTION, PRURITUS, PAIN, AND INFLAMMATION THE ROCKEFELLER UNIVERSITY (US) 2021-06-17 US disclosed
WO-2020247599-A1 4-SUBSTITUTED PYRANO[3,4,B]PYRAZINE KAPPA AGONISTS FOR TREATING DRUG DEPENDENCY THE ROCKEFELLER UNIVERSITY (US) 2020-12-10 WO disclosed
EP-3723751-A1 PYRANO[3,4-B]PYRAZINE KAPPA OPIOID RECEPTOR LIGANDS FOR TREATING ADDICTION, PRURITUS, PAIN, AND INFLAMMATION The Rockefeller University (US) 2020-10-21 EP disclosed
WO-2019113419-A1 PYRANO[3,4-B]PYRAZINE KAPPA OPIOID RECEPTOR LIGANDS FOR TREATING ADDICTION, PRURITUS, PAIN, AND INFLAMMATION THE ROCKEFELLER UNIVERSITY (US) 2019-06-13 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 (3 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-20220324876-A1 4-SUBSTITUTED PYRANO[3,4,b]PYRAZINE KAPPA AGONISTS FOR TREATING DRUG DEPENDENCY OPRK1, OPRD1, OPRM1 MAPT 2244/4885GSR 4009/4885CA2 4533/4885
US-11091497-B2 Pyrano[3,4-b]pyrazine kappa opioid receptor ligands for treating addiction, pruritus, pain, and inflammation OPRK1, OPRD1, OPRL1 MAPT 1467/4885GSR 3704/4885CA2 4621/4885
US-20210179629-A1 PYRANO[3,4-b]PYRAZINE KAPPA OPIOID RECEPTOR LIGANDS FOR TREATING ADDICTION, PRURITUS, PAIN, AND INFLAMMATION OPRK1, OPRD1, OPRL1 MAPT 1467/4885GSR 3704/4885CA2 4621/4885

“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.