SCHEMBL145856

SCHEMBL145856

OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 1.00
▸ ADORA2A P29274 3/20 1.00
▸ PMP22 Q01453 2/20 1.00
▸ SMN1; SMN2 Q16637 1/20 1.00
▸ TDP1 Q9NUW8 1/20 1.00
▸ CYP2C19 P33261 1/20 1.00
▸ THPO P40225 1/20 1.00
▸ ADORA3 P0DMS8 5/20 0.98
▸ ADORA2B P29275 2/20 0.98
▸ ADORA1 P30542 2/20 0.98
▸ MEN1 O00255 2/20 0.98
▸ KMT2A Q03164 2/20 0.98
▸ GAA P10253 1/20 0.98
▸ HTT P42858 1/20 0.98
▸ SIGMAR1 Q99720 1/20 0.98
▸ SLC29A1 Q99808 1/20 0.98
▸ RXFP1 Q9HBX9 1/20 0.98
▸ TP53 P04637 1/20 0.98
▸ NFKB1 P19838 1/20 0.98
▸ HIF1A Q16665 1/20 0.98

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
SCHEMBL12119008 1.00 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL472771 1.00 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL27097764 1.00 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL17033118 1.00 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL145857 1.00 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL472589 1.00 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL16081270 1.00 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL472588 1.00 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
N6-Cyclopentyladenosine SCHEMBL18908968 0.99 ADORA3 (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
N6-Cyclopentyladenosine SCHEMBL120481 0.99 ADORA3 (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11911408-B2 Synergistic formulations of adenosine receptor modulating agents and anticholinergics UNIVERSITY OF ALASKA FAIRBANKS (US) 2024-02-27 — — US claimed
US-20240024243-A1 Fine Dry Particulate Adenosine Compositions and Topical Formulations Including the Same LABORATORY SKIN CARE, INC. 2024-01-25 — — US claimed
CN-117338801-A Application of N6-substituted adenosine derivative or N6-substituted purine derivative in preparation of medicine for relieving peri-operative neuroinflammation 河北医科大学 2024-01-05 — — CN claimed
CN-114376962-A Drug-loaded nanofiber for acupuncture point thread embedding material and preparation method and application thereof 上海市第四人民医院 2022-04-22 — — CN 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
US-20190125779-A1 PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF HOUSTON SYSTEM (US) 2019-05-02 — — US 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
WO-2009071094-A2 COMBINATION TREATMENT OF ISCHEMIC EFFECTS NEUROKEY A/S (DK) 2009-06-11 — — WO claimed
WO-2009071096-A2 COMBINATION OF MEDICAL AND PHYSICAL COOLING TREATMENT OF ISCHEMIC EFFECTS NEUROKEY A/S (DK) 2009-06-11 — — WO claimed
WO-2009018275-A1 ADENOSINE AND ITS MIMETICS, MODULATORS, TRANSPORT INHIBITORS, AND RECEPTOR AGONISTS AS A THERAPEUTIC TOOL TO REPLACE OR IMPROVE THE EFFICACY OF DEEP BRAIN STIMULATION UNIVERSITY OF ROCHESTER (US) 2009-02-05 — — WO claimed
US-20070232560-A1 Treatment of skin with adenosine or adenosine analog UNIVERSITY OF MASSACHUSETTS, A MASSACHUSETTS CORPORATION 2007-10-04 — — 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-20040110718-A1 Anti-HCV nucleoside derivatives DEVOS RENE (GB) 2004-06-10 — — US claimed
EP-0996453-B1 METHODS FOR THE INHIBITION OF NEURONAL ACTIVITY BY LOCAL DELIVERY OF ADENOSINE MOHLER HANNS (CH) 2004-04-28 — — EP claimed
CN-1466591-A Nucleoside derivatives - 2004-01-07 — — CN claimed
US-6638914-B1 Use in inducing proliferation of the hematopoietic system, in particular, of bone marrow cells, comprising a pharmaceutically acceptable carrier, excipient or diluent and, as an active ingredient, an effective amount of an CAN-FITE BIOPHARMA LTD. (IL) 2003-10-28 — — US claimed
US-20030008841-A1 Anti-HCV nucleoside derivatives F. HOFFMAN-LA ROCHE, A SWISS COMPANY (CH) 2003-01-09 — — US 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 (5 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-20030008841-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 TSHR 4452/4885ADORA2A 70/4885PMP22 4754/4885
US-20040110718-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 TSHR 4452/4885ADORA2A 70/4885PMP22 4754/4885
US-11911408-B2 Synergistic formulations of adenosine receptor modulating agents and anticholinergics ADORA1, ADORA3, ADORA2A TSHR 235/4885ADORA2A 3/4885PMP22 4619/4885
US-20180344655-A1 FUNCTIONALIZED POLYMERIC PARTICLES FOR TREATMENT OF GLIOMAS PHLPP1, PHLPP2, PLAA TSHR 3522/4885ADORA2A 10/4885PMP22 2993/4885
US-20200276312-A1 Elimination of chronic pain by chronic activation of adenosine receptor type A1 in peripheral sensory neurons P2RX3, P2RX1, P2RX2 TSHR 2680/4885ADORA2A 8/4885PMP22 376/4885

“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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