SCHEMBL13516554

SCHEMBL13516554

CC(C(N)=O)N1CN([C@@H]2O[C@H](CO)C(O)C2O)c2nc(NCCc3ccc(CCC(=O)NCCNC(=S)c4ccc(N=C=S)cc4)cc3)nc(N)c21

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.40
ADORA2B P29275 2/20 0.40
ADORA3 P0DMS8 5/20 0.39
ADORA1 P30542 4/20 0.35

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
SCHEMBL4300736 0.82 ADORA2A (0.57) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5689599 0.75 ADORA2A (0.37) ADORA2AADORA2BADORA3ADORA1
SCHEMBL724838 0.73 ADORA2A (0.47) ADORA2AADORA2BADORA3ADORA1
SCHEMBL1081739 0.70 ADORA2A (0.57) ADORA2AADORA2BADORA3ADORA1
Hydrochloric Acid SCHEMBL6754870 0.70 ADORA2A (0.56) ADORA2AADORA2BADORA3ADORA1
Hydrochloric Acid SCHEMBL2031973 0.69 ADORA2A (0.55) ADORA2AADORA2BADORA3ADORA1
SCHEMBL940191 0.68 ADORA2A (0.46) ADORA2AADORA2BADORA3
SCHEMBL2295173 0.68 ADORA2A (0.48) ADORA2AADORA2BADORA3ADORA1
SCHEMBL846742 0.66 HSPA8 (0.46) ADORA2AADORA2BADORA3ADORA1
SCHEMBL29384918 0.64 ADORA2A (0.67) ADORA2AADORA2BADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11123285-B2 Auris formulations for treating OTIC diseases and conditions OTONOMY, INC. (US) 2021-09-21 US disclosed
US-10751281-B2 Auris formulations for treating otic diseases and conditions OTONOMY, INC. (US) 2020-08-25 US disclosed
US-20190307678-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS DOMPÉ FARMACEUTICI S.P.A. (IT) 2019-10-10 US disclosed
US-10272034-B2 Auris formulations for treating otic diseases and conditions OTONOMY, INC. (US) 2019-04-30 US disclosed
US-20160243028-A1 Auris Formulations for Treating Otic Diseases and Conditions DOMPÉ FARMACEUTICI S.P.A. (IT) 2016-08-25 US disclosed
US-20160228357-A1 Auris Formulations for Treating Otic Diseases and Conditions OTONOMY, INC. 2016-08-11 US disclosed
US-20160095902-A1 Auris Formulations for Treating Otic Diseases and Conditions OTONOMY, INC. 2016-04-07 US disclosed
US-9132087-B2 Auris formulations for treating otic diseases and conditions OTONOMY, INC. (US) 2015-09-15 US disclosed
US-20120277199-A1 Modulation of Gel Temperature of Poloxamer-Containing Formulations OTONOMY, INC. (US) 2012-11-01 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 (8 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-20160243028-A1 Auris Formulations for Treating Otic Diseases and Conditions OTC, AQP4, SLC26A4 ADORA2A 24/4885ADORA2B 35/4885ADORA3 84/4885
US-20190307678-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 ADORA2A 24/4885ADORA2B 35/4885ADORA3 84/4885
US-10751281-B2 Auris formulations for treating otic diseases and conditions OTC, AQP4, SLC26A4 ADORA2A 24/4885ADORA2B 35/4885ADORA3 84/4885
US-20160095902-A1 Auris Formulations for Treating Otic Diseases and Conditions OTC, AQP4, SLC26A4 ADORA2A 24/4885ADORA2B 35/4885ADORA3 84/4885
US-11123285-B2 Auris formulations for treating OTIC diseases and conditions OTC, AQP4, SLC26A4 ADORA2A 24/4885ADORA2B 35/4885ADORA3 84/4885
US-10272034-B2 Auris formulations for treating otic diseases and conditions OTC, AQP4, SLC26A4 ADORA2A 24/4885ADORA2B 35/4885ADORA3 84/4885
US-20160228357-A1 Auris Formulations for Treating Otic Diseases and Conditions OTC, AQP4, SLC26A4 ADORA2A 24/4885ADORA2B 35/4885ADORA3 84/4885
US-20120277199-A1 Modulation of Gel Temperature of Poloxamer-Containing Formulations PTGIR, HSPH1, HSP90AA1 ADORA2A 1279/4885ADORA2B 2150/4885ADORA3 3154/4885

“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.