SCHEMBL18675576

SCHEMBL18675576

CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 1.00
▸ ADORA1 P30542 9/20 1.00
▸ ADORA2A P29274 6/20 1.00
▸ PPARD Q03181 2/20 1.00
▸ PPARG P37231 1/20 1.00

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
SCHEMBL5369617 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL18675574 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL14316094 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL12264930 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL14296866 0.93 ADORA3 (0.86) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL18675350 0.92 ADORA3 (0.85) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL19464991 0.91 ADORA3 (0.84) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL18675579 0.91 ADORA3 (0.84) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL14316095 0.91 ADORA3 (0.84) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL14325218 0.91 ADORA3 (0.83) ADORA3ADORA1ADORA2APPARDPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-9789131-B1 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2017-10-17 — — US disclosed
WO-2017052322-A1 ADENOSINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT 퓨쳐메디신 주식회사 2017-03-30 — — 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 994/4885ADORA2A 436/4885
US-11839615-B2 Compounds and methods for treating addiction and related disorders ADORA2A, TAAR5, ADORA3 ADORA3 3/4885ADORA1 11/4885ADORA2A 1/4885
US-20180021363-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885ADORA2A 436/4885
US-10953031-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885ADORA2A 436/4885
US-20200046751-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885ADORA2A 436/4885
US-11484545-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885ADORA2A 436/4885
US-20210030760-A1 COMPOUNDS AND METHODS FOR TREATING ADDICTION AND RELATED DISORDERS SLC6A3, PNMT, CES2 ADORA3 274/4885ADORA1 572/4885ADORA2A 198/4885
US-20230165887-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885ADORA2A 436/4885
US-20220000899-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885ADORA2A 436/4885

“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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