SCHEMBL12264931

SCHEMBL12264931

CNC(=O)C12CC1C(n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)C(O)C2O

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 17/20 1.00
▸ ADORA2A P29274 12/20 1.00
▸ HTR2B P41595 1/20 0.85
▸ ADORA2B P29275 1/20 0.73

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
SCHEMBL19807555 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BADORA2B
SCHEMBL19465000 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BADORA2B
SCHEMBL13388266 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BADORA2B
SCHEMBL29775232 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BADORA2B
SCHEMBL29524240 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BADORA2B
SCHEMBL13388428 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B
SCHEMBL958888 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B
SCHEMBL3740313 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B
SCHEMBL28525054 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B
SCHEMBL958891 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9132131-B2 Use of adenosine A3 receptor agonists for treatment of neuropathic pain SAINT LOUIS UNIVERSITY (US) 2015-09-15 — — US claimed
US-20120270829-A1 USE OF ADENOSINE A3 RECEPTOR AGONISTS FOR TREATMENT OF NEUROPATHIC PAIN SAINT LOUIS UNIVERSITY (US) 2012-10-25 — — US claimed
US-20250345353-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS INC (US) 2025-11-13 — — US disclosed
US-12397010-B2 Treatment of chronic headaches SAINT LOUIS UNIVERSITY (US) 2025-08-26 — — US disclosed
US-12390483-B2 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2025-08-19 — — US disclosed
US-20250177405-A1 METHODS OF TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. 2025-06-05 — — US disclosed
US-12239654-B2 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2025-03-04 — — US disclosed
EP-4414027-A2 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS Astrocyte Pharmaceuticals, Inc. (US) 2024-08-14 — — EP disclosed
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-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-2017189504-A1 HIGHLY SELECTIVE ADENOSINE A3 RECEPTOR SUBTYPE AGONSISTS FOR THE PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISORDERS SAINT LOUIS UNIVERSITY (US) 2017-11-02 — — WO 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
US-9132131-B2 Use of adenosine A3 receptor agonists for treatment of neuropathic pain SAINT LOUIS UNIVERSITY (US) 2015-09-15 — — US disclosed
US-20150087613-A1 Inhibition of Opioid Antinociceptive Tolerance and Withdrawal in Nociceptive Pain Therapy SAINT LOUIS UNIVERSITY 2015-03-26 — — US disclosed
US-20120270829-A1 USE OF ADENOSINE A3 RECEPTOR AGONISTS FOR TREATMENT OF NEUROPATHIC PAIN SAINT LOUIS UNIVERSITY (US) 2012-10-25 — — US disclosed
WO-2011123518-A1 ADENOSINE RECEPTOR AGONISTS FOR THE TREATMENT AND PREVENTION OF VASCULAR OR JOINT CAPSULE CALCIFICATION DISORDERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-10-06 — — 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 (10 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-12390483-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-20250345353-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885ADORA2A 436/4885
US-20180021363-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885ADORA2A 436/4885
US-20150087613-A1 Inhibition of Opioid Antinociceptive Tolerance and Withdrawal in Nociceptive Pain Therapy OPRL1, OPRK1, OPRD1 ADORA3 5/4885ADORA1 63/4885ADORA2A 47/4885
US-20250177405-A1 METHODS OF TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA1 3/4885ADORA2A 1/4885
US-12239654-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885ADORA2A 436/4885
US-20230165887-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885ADORA2A 436/4885
US-12397010-B2 Treatment of chronic headaches ADORA3, ADORA2B, ADORA2A ADORA3 1/4885ADORA1 10/4885ADORA2A 3/4885

“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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