Gr-79236

Gr-79236

SCHEMBL1684871

OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 6/20 1.00
▸ ADORA1 P30542 6/20 1.00
▸ ADORA2A P29274 5/20 1.00
▸ ADORA2B P29275 4/20 1.00
▸ CYP2D6 P10635 1/20 1.00
▸ TSHR P16473 3/20 0.76
▸ PMP22 Q01453 2/20 0.76
▸ HIF1A Q16665 2/20 0.76
▸ GAA P10253 1/20 0.76
▸ HTT P42858 1/20 0.76
▸ SIGMAR1 Q99720 1/20 0.76
▸ SLC29A1 Q99808 1/20 0.76
▸ RXFP1 Q9HBX9 1/20 0.76
▸ MEN1 O00255 1/20 0.76
▸ KMT2A Q03164 1/20 0.76
▸ TP53 P04637 1/20 0.76
▸ NFKB1 P19838 1/20 0.76
▸ SMN1; SMN2 Q16637 1/20 0.75
▸ TDP1 Q9NUW8 1/20 0.75
▸ CYP2C19 P33261 1/20 0.75

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
Gr-79236 SCHEMBL9791896 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BCYP2D6
Gr-79236 SCHEMBL472413 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BCYP2D6
Gr-79236 SCHEMBL22452097 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BCYP2D6
Gr-79236 SCHEMBL24437080 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BCYP2D6
Gr-79236 SCHEMBL2779193 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BCYP2D6
Gr-79236 SCHEMBL24437079 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BCYP2D6
Gr-79236 SCHEMBL12355491 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BCYP2D6
Gr-79236 SCHEMBL24436934 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BCYP2D6
Gr-79236 SCHEMBL21033425 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BCYP2D6
Gr-79236 SCHEMBL1101275 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BCYP2D6

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2704793-B1 REGULATION OF AMYLOID BETA MOLECULAR COMPOSITION FOR THE TREATMENT OF ALZHEIMER'S DISEASE UNIV RAMOT (IL) 2019-07-17 — — EP claimed
US-9192670-B2 Regulation of amyloid beta molecular composition for the treatment of alzheimer's disease RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2015-11-24 — — US claimed
US-20240358634-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-10-31 — — US disclosed
US-11969501-B2 Auris formulations for treating otic diseases and conditions DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-04-30 — — US disclosed
US-11918653-B2 Triglyceride otic formulations and uses thereof DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-03-05 — — US disclosed
US-20220040096-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTONOMY INC (US) 2022-02-10 — — US disclosed
US-20220040095-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS DOMPÉ FARMACEUTICI S.P.A. (IT) 2022-02-10 — — US disclosed
US-11123285-B2 Auris formulations for treating OTIC diseases and conditions OTONOMY, INC. (US) 2021-09-21 — — US disclosed
US-20210138069-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF DOMPÉ FARMACEUTICI S.P.A. (IT) 2021-05-13 — — US disclosed
US-20200397907-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF OTONOMY, INC. 2020-12-24 — — US disclosed
US-10821185-B2 Triglyceride otic formulations and uses thereof OTONOMY INC. (US) 2020-11-03 — — US disclosed
US-20180000950-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF OTONOMY, INC. 2018-01-04 — — US disclosed
US-20160095902-A1 Auris Formulations for Treating Otic Diseases and Conditions OTONOMY, INC. 2016-04-07 — — US disclosed
US-9192670-B2 Regulation of amyloid beta molecular composition for the treatment of alzheimer's disease RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2015-11-24 — — US disclosed
US-9132087-B2 Auris formulations for treating otic diseases and conditions OTONOMY, INC. (US) 2015-09-15 — — US disclosed
US-20140241990-A1 METHODS OF USING ADENOSINE A1 RECEPTOR ACTIVATION FOR TREATING DEPRESSION TUFTS UNIVERSITY (US) 2014-08-28 — — US disclosed
WO-2013049725-A2 METHODS OF USING ADENOSINE A1 RECEPTOR ACTIVATION FOR TREATING DEPRESSION TUFTS UNIVERSITY (US) 2013-04-04 — — WO disclosed
US-20120277199-A1 Modulation of Gel Temperature of Poloxamer-Containing Formulations OTONOMY, INC. (US) 2012-11-01 — — US disclosed
WO-2011050206-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF SINONASAL DISORDERS OTONOMY, INC. (US) 2011-04-28 — — WO disclosed
US-20090306225-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTONOMY, INC. (US) 2009-12-10 — — 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 (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-20180000950-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF CETP, LIPA, APOB ADORA3 2382/4885ADORA1 2143/4885ADORA2A 2246/4885
US-20210138069-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF CETP, LIPA, APOB ADORA3 2478/4885ADORA1 2255/4885ADORA2A 2398/4885
US-20220040096-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 ADORA3 84/4885ADORA1 9/4885ADORA2A 24/4885
US-20140241990-A1 METHODS OF USING ADENOSINE A1 RECEPTOR ACTIVATION FOR TREATING DEPRESSION ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA1 2/4885ADORA2A 1/4885
US-10821185-B2 Triglyceride otic formulations and uses thereof CETP, LIPA, APOB ADORA3 2382/4885ADORA1 2143/4885ADORA2A 2246/4885
US-20090306225-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 ADORA3 84/4885ADORA1 9/4885ADORA2A 24/4885
US-20160095902-A1 Auris Formulations for Treating Otic Diseases and Conditions OTC, AQP4, SLC26A4 ADORA3 84/4885ADORA1 9/4885ADORA2A 24/4885
US-11123285-B2 Auris formulations for treating OTIC diseases and conditions OTC, AQP4, SLC26A4 ADORA3 84/4885ADORA1 9/4885ADORA2A 24/4885
US-11918653-B2 Triglyceride otic formulations and uses thereof CETP, LIPA, APOB ADORA3 2478/4885ADORA1 2255/4885ADORA2A 2398/4885
US-20240358634-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 ADORA3 84/4885ADORA1 9/4885ADORA2A 24/4885
US-20120277199-A1 Modulation of Gel Temperature of Poloxamer-Containing Formulations PTGIR, HSPH1, HSP90AA1 ADORA3 3154/4885ADORA1 2686/4885ADORA2A 1279/4885
US-20200397907-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF CETP, LIPA, APOB ADORA3 2382/4885ADORA1 2143/4885ADORA2A 2246/4885
US-20220040095-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 ADORA3 84/4885ADORA1 9/4885ADORA2A 24/4885
US-11969501-B2 Auris formulations for treating otic diseases and conditions OTC, AQP4, SLC26A4 ADORA3 84/4885ADORA1 9/4885ADORA2A 24/4885

“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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