SCHEMBL5816711

SCHEMBL5816711

Nc1nc(I)nc2c1ncn2C1C(O)C(O)C2(CO)CC12

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 13/20 0.82
▸ ADORA1 P30542 8/20 0.82
▸ HSP90AA1 P07900 1/20 0.77
▸ HSP90B1 P14625 1/20 0.77
▸ ADORA2A P29274 3/20 0.71
▸ HTR2C P28335 6/20 0.66
▸ HTR2B P41595 6/20 0.66
▸ TSPO P30536 1/20 0.64
▸ TMEM97 Q5BJF2 1/20 0.64
▸ SIGMAR1 Q99720 1/20 0.64
▸ HRH1 P35367 1/20 0.63
▸ TMIGD3 P0DMS9 1/20 0.59
▸ P2RY1 P47900 2/20 0.56
▸ ADK P55263 1/20 0.55

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
SCHEMBL5816714 1.00 ADORA3 (0.82) ADORA3ADORA1HSP90AA1HSP90B1ADORA2A
SCHEMBL12269658 0.88 ADORA3 (0.77) ADORA3ADORA1HSP90AA1HSP90B1ADORA2A
SCHEMBL12269990 0.87 ADORA3 (1.00) ADORA3ADORA1HSP90AA1HSP90B1ADORA2A
SCHEMBL19464937 0.87 ADORA3 (0.77) ADORA3ADORA1HSP90AA1HSP90B1ADORA2A
SCHEMBL5807801 0.87 ADORA3 (0.77) ADORA3ADORA1HSP90AA1HSP90B1ADORA2A
SCHEMBL2363334 0.87 ADORA3 (1.00) ADORA3ADORA1HSP90AA1HSP90B1ADORA2A
SCHEMBL19459458 0.87 ADORA3 (0.77) ADORA3ADORA1HSP90AA1HSP90B1ADORA2A
SCHEMBL21710876 0.87 ADORA3 (1.00) ADORA3ADORA1HSP90AA1HSP90B1ADORA2A
SCHEMBL22933437 0.87 ADORA3 (0.77) ADORA3ADORA1HSP90AA1HSP90B1ADORA2A
SCHEMBL19464938 0.87 ADORA3 (0.77) ADORA3ADORA1HSP90AA1HSP90B1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445368-B1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS INC (US) 2024-07-17 — — EP disclosed
US-11839615-B2 Compounds and methods for treating addiction and related disorders ASTROCYTE PHARMACEUTICALS, INC. (US) 2023-12-12 — — US disclosed
US-20230165887-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-06-01 — — US disclosed
US-11484545-B2 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2022-11-01 — — US disclosed
US-20220000899-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2022-01-06 — — US disclosed
US-10953031-B2 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2021-03-23 — — US disclosed
US-20210030760-A1 COMPOUNDS AND METHODS FOR TREATING ADDICTION AND RELATED DISORDERS ASTROCYTE PHARMACEUTICALS, INC. 2021-02-04 — — US disclosed
US-20200046751-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. 2020-02-13 — — US disclosed
WO-2019157317-A1 COMPOUNDS AND METHODS FOR TREATING ADDICTION AND RELATED DISORDERS ASTROCYTE PHARMACEUTICALS, INC. (US) 2019-08-15 — — WO disclosed
US-10265338-B2 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2019-04-23 — — US disclosed
US-20180021363-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. 2018-01-25 — — US disclosed
WO-2017185061-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. (US) 2017-10-26 — — WO disclosed
US-9789131-B1 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2017-10-17 — — US disclosed
WO-2006091905-A1 BICYCLO (3.1.0) HEXANE DERIVATIVES AS ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-08-31 — — 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 (9 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-10265338-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885HSP90AA1 1092/4885
US-11839615-B2 Compounds and methods for treating addiction and related disorders ADORA2A, TAAR5, ADORA3 ADORA3 3/4885ADORA1 11/4885HSP90AA1 3392/4885
US-20180021363-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885HSP90AA1 1092/4885
US-10953031-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885HSP90AA1 1092/4885
US-20200046751-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885HSP90AA1 1092/4885
US-11484545-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885HSP90AA1 1092/4885
US-20210030760-A1 COMPOUNDS AND METHODS FOR TREATING ADDICTION AND RELATED DISORDERS SLC6A3, PNMT, CES2 ADORA3 274/4885ADORA1 572/4885HSP90AA1 2925/4885
US-20230165887-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885HSP90AA1 1092/4885
US-20220000899-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885HSP90AA1 1092/4885

“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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