SCHEMBL958888

SCHEMBL958888

CNC(=O)C12CC1C(n1cnc3c(NCc4cccc(Cl)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 19/20 1.00
▸ ADORA1 P30542 16/20 1.00
▸ ADORA2A P29274 10/20 1.00
▸ HTR2B P41595 1/20 1.00
▸ TMIGD3 P0DMS9 1/20 0.80

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
SCHEMBL958891 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL29524384 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL28525054 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL29366953 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL29390151 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL29523882 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL3740313 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL13388428 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL19464901 0.93 ADORA3 (0.87) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL20122154 0.93 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3

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 40 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-7867983-B2 Methods to protect skeletal muscle against injury THE UNIVERSITY OF CONNECTICUT (US) 2011-01-11 — — US claimed
US-20080312180-A1 Methods to Protect Skeletal Muscle Against Injury The U.S.A, as Represented by The Secretary of the Army, on Behalf of the U.S. Army Research 2008-12-18 — — 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-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-20120134945-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION ORADIN PHARMACEUTICAL LTD. (IL) 2012-05-31 — — US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 — — US disclosed
EP-2456419-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION Oradin Pharmaceutical Ltd. (IL) 2012-05-30 — — EP 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
WO-2011010306-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2011-01-27 — — WO disclosed
US-7867983-B2 Methods to protect skeletal muscle against injury THE UNIVERSITY OF CONNECTICUT (US) 2011-01-11 — — US disclosed
WO-2008156513-A2 METHODS TO PROTECT SKELETAL MUSCLE AGAINST INJURY UNIVERSITY OF CONNECTICUT (US) 2008-12-24 — — WO disclosed
US-20080312180-A1 Methods to Protect Skeletal Muscle Against Injury The U.S.A, as Represented by The Secretary of the Army, on Behalf of the U.S. Army Research 2008-12-18 — — 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 (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-20080312180-A1 Methods to Protect Skeletal Muscle Against Injury MUSK, TNNI3, TNNC1 ADORA3 18/4885ADORA1 33/4885ADORA2A 17/4885
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-20250177405-A1 METHODS OF TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA1 3/4885ADORA2A 1/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 ADORA3 1076/4885ADORA1 499/4885ADORA2A 1017/4885
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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