SCHEMBL120439

SCHEMBL120439

OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 1.00
ADORA2A P29274 6/20 1.00
ADORA1 P30542 5/20 1.00
ADORA2B P29275 4/20 1.00
MEN1 O00255 1/20 1.00
CYP1A2 P05177 1/20 1.00
MAPK1 P28482 1/20 1.00
KMT2A Q03164 1/20 1.00
RXFP1 Q9HBX9 1/20 0.98
HTR2C P28335 1/20 0.75
PMP22 Q01453 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
SCHEMBL2492838 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL29354999 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL16081269 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL2461163 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL12264514 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL19807522 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL3950346 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL472609 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL9498481 0.99 ADORA3 (0.98) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL4803030 0.99 ADORA3 (0.98) ADORA3ADORA2AADORA1ADORA2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118845814-A Application of N6-cyclopentyl adenosine, derivatives and salts thereof in treating liver diseases 上海中医药大学 2024-10-29 CN claimed
US-20240024243-A1 Fine Dry Particulate Adenosine Compositions and Topical Formulations Including the Same LABORATORY SKIN CARE, INC. 2024-01-25 US claimed
WO-2021003393-A1 METHOD, COMPOSITION, AND APPARATUS FOR TREATING HEADACHE Equinox Ophthalmic, Inc. (US) 2021-01-07 WO claimed
CN-111789950-A Method and pharmaceutical composition for regulating fear memory consolidation 浙江大学 2020-10-20 CN claimed
US-20200276312-A1 Elimination of chronic pain by chronic activation of adenosine receptor type A1 in peripheral sensory neurons UNIV ROCHESTER (US) 2020-09-03 US claimed
CN-110169976-A Medicine composition for treating depression and its application containing adenosine a1 receptor agonists 北京大学 2019-08-27 CN claimed
EP-2704793-B1 REGULATION OF AMYLOID BETA MOLECULAR COMPOSITION FOR THE TREATMENT OF ALZHEIMER'S DISEASE UNIV RAMOT (IL) 2019-07-17 EP claimed
US-20180344655-A1 FUNCTIONALIZED POLYMERIC PARTICLES FOR TREATMENT OF GLIOMAS YALE UNIVERSITY 2018-12-06 US claimed
WO-2017137528-A1 ADENOSINE A1 RECEPTOR AGONIST FOR USE IN TREATMENT OF STATUS EPILEPTICUS CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2017-08-17 WO claimed
US-20160367586-A1 COMBINATION, KIT AND METHOD OF REDUCING INTRAOCULAR PRESSURE INOTEK PHARMACEUTICALS CORPORATION 2016-12-22 US claimed
US-20060240056-A1 Treatment of skin with adenosine or adenosine analog UNIVERSITY OF MASSACHUSETTS, A MASSACHUSETTS CORPORATION 2006-10-26 US claimed
US-20060205671-A1 Compositions and methods for use of a protease inhibitor and adenosine for preventing organ ischemia and reperfusion injury EMORY UNIVERSITY 2006-09-14 US claimed
EP-1683509-A1 METHOD AND COMPOSITION FOR HAIR THICKENING SHISEIDO COMPANY, LTD. (JP) 2006-07-26 EP claimed
EP-1638579-A2 COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY EMORY UNIVERSITY (US) 2006-03-29 EP claimed
US-6955814-B1 protecting and/or preserving organs, in particular the heart during open-heart surgery, cardiovascular diagnosis or therapeutic intervention by administering potassium channel opener or agonist and adenosine receptor agonist and local anesthetic GLOBAL CARDIAC SOLUTIONS PTY LTD. (AU) 2005-10-18 US claimed
US-20050171050-A1 Composition of a potassium channel opener, a potassium channel agonist and an adenosine receptor agonist; heart can be better protected during arrest and recovery by using the potassium channel opener adenosine and the local anaesthetic lignocaine GLOBAL CARDIAC SOLUTIONS PTD. LTD. (AU) 2005-08-04 US claimed
WO-2005003150-A2 COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY EMORY UNIVERSITY (US) 2005-01-13 WO claimed
US-20040146474-A1 Method for softening lines and relaxing the skin with adenosine and adenosine analogues L'OREAL (FR) 2004-07-29 US claimed
WO-2004056180-A1 ORGAN PRECONDITIONING, ARREST, PROTECTION, PRESERVATION AND RECOVERY (1) GLOBAL CARDIAC SOLUTIONS PTY LTD (AU) 2004-07-08 WO claimed
EP-1424064-A1 Use of adenosin or an adenosin analog to smooth out fine lines L'OREAL (FR) 2004-06-02 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20160367586-A1 COMBINATION, KIT AND METHOD OF REDUCING INTRAOCULAR PRESSURE PTGIR, ADORA1, PDE3A ADORA3 7/4885ADORA2A 4/4885ADORA1 2/4885
US-20180344655-A1 FUNCTIONALIZED POLYMERIC PARTICLES FOR TREATMENT OF GLIOMAS PHLPP1, PHLPP2, PLAA ADORA3 32/4885ADORA2A 10/4885ADORA1 39/4885
US-20200276312-A1 Elimination of chronic pain by chronic activation of adenosine receptor type A1 in peripheral sensory neurons P2RX3, P2RX1, P2RX2 ADORA3 13/4885ADORA2A 8/4885ADORA1 4/4885

“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.