SCHEMBL3910316

SCHEMBL3910316

N=C(N)NN1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.37
GNAO1 P09471 2/20 0.37
GNAI1 P63096 2/20 0.37
NOS2 P35228 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 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
Piperazine SCHEMBL28081480 0.85 F2 (0.38) NOS2CA2
SCHEMBL28170293 0.85 GNAI3 (0.34) GNAI3GNAO1GNAI1NOS2
Hydrochloric Acid SCHEMBL28169769 0.83 GNAI3 (0.37) GNAI3GNAO1GNAI1NOS2
SCHEMBL3067680 0.82 CA12 (0.36) CA12CA1CA2CA9
SCHEMBL3913611 0.80 GNAI3 (0.39) GNAI3GNAO1GNAI1CA12CA1
SCHEMBL4985794 0.77
SCHEMBL1459326 0.76 GNAI3 (0.44) GNAI3GNAO1GNAI1CA12CA1
SCHEMBL1132836 0.76 GNAI3 (0.37) GNAI3GNAO1GNAI1CA12CA1
Iodide SCHEMBL28724371 0.75 F2 (0.40)
SCHEMBL4986694 0.75 F2 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240165106-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2024-05-23 US disclosed
US-20230241054-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2023-08-03 US disclosed
US-20220054479-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2022-02-24 US disclosed
US-11197933-B2 Polysubunit opioid prodrugs resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2021-12-14 US disclosed
US-11154549-B2 Opioid compositions resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2021-10-26 US disclosed
US-11129825-B2 Polysubunit opioid prodrugs resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2021-09-28 US disclosed
US-20200101166-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2020-04-02 US disclosed
US-20200093817-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2020-03-26 US disclosed
US-10335406-B2 Opioid compositions resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2019-07-02 US disclosed
US-20190183884-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2019-06-20 US disclosed
US-10251878-B2 Polysubunit opioid prodrugs resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2019-04-09 US disclosed
EP-3355885-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE Elysium Therapeutics, Inc. (US) 2018-08-08 EP disclosed
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2018-03-29 US disclosed
US-20170368058-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2017-12-28 US disclosed
US-9808452-B2 Polysubunit opioid prodrugs resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2017-11-07 US disclosed
US-20170100390-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2017-04-13 US disclosed
EP-2026754-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES Henkel AG & Co. KGaA (DE) 2009-02-25 EP disclosed
WO-2007137676-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES HENKEL AG & CO. KGAA (DE) 2007-12-06 WO disclosed
WO-1999011612-A2 SUBSTITUTED CYCLIC COMPOUNDS AND MIXTURES COMPRISING SAME ISIS PHARMACEUTICALS, INC. (US) 1999-03-11 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 (14 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-20200093817-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 GNAI3 1417/4885GNAO1 712/4885GNAI1 1222/4885
US-10251878-B2 Polysubunit opioid prodrugs resistant to overdose and abuse OPRK1, OPRM1, CYP3A5 GNAI3 1868/4885GNAO1 1474/4885GNAI1 1519/4885
US-11197933-B2 Polysubunit opioid prodrugs resistant to overdose and abuse OPRM1, OPRK1, OPRL1 GNAI3 165/4885GNAO1 91/4885GNAI1 81/4885
US-20240165106-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRK1, OPRM1, CYP3A5 GNAI3 1868/4885GNAO1 1474/4885GNAI1 1519/4885
US-20220054479-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 GNAI3 1417/4885GNAO1 712/4885GNAI1 1222/4885
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 GNAI3 1417/4885GNAO1 712/4885GNAI1 1222/4885
US-20200101166-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRL1 GNAI3 165/4885GNAO1 91/4885GNAI1 81/4885
US-20170100390-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRK1, OPRM1, CYP3A5 GNAI3 1868/4885GNAO1 1474/4885GNAI1 1519/4885
US-10335406-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 GNAI3 1417/4885GNAO1 712/4885GNAI1 1222/4885
US-20170368058-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRK1, OPRM1, CYP3A5 GNAI3 1868/4885GNAO1 1474/4885GNAI1 1519/4885
US-20230241054-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRK1, OPRM1, CYP3A5 GNAI3 1868/4885GNAO1 1474/4885GNAI1 1519/4885
US-11129825-B2 Polysubunit opioid prodrugs resistant to overdose and abuse OPRK1, OPRM1, CYP3A5 GNAI3 1868/4885GNAO1 1474/4885GNAI1 1519/4885
US-20190183884-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRK1, OPRM1, CYP3A5 GNAI3 1868/4885GNAO1 1474/4885GNAI1 1519/4885
US-11154549-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 GNAI3 1417/4885GNAO1 712/4885GNAI1 1222/4885

“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.