SCHEMBL62485

SCHEMBL62485

Nc1ncnc2c1ncn2[C@]1(Cc2ccc(O)cc2)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.48
ADORA2A P29274 3/20 0.48
GMPS P49915 1/20 0.48
PI4KA P42356 2/20 0.46
PI4K2B Q8TCG2 2/20 0.46
PI4K2A Q9BTU6 2/20 0.46
PI4KB Q9UBF8 2/20 0.46
SLC28A1 O00337 2/20 0.46
DPP4 P27487 1/20 0.46
MEN1 O00255 1/20 0.46
MAP3K7 O43318 1/20 0.46
SLC28A2 O43868 1/20 0.46
GAPDH P04406 1/20 0.46
MAPK1 P28482 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
STAT6 P42226 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DOT1L Q8TEK3 1/20 0.46

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
SCHEMBL27765322 1.00 ADORA3 (0.48) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL932845 0.93 ADORA3 (0.49) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL13269151 0.92 ADORA2A (0.48) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL13269127 0.91 ADORA3 (0.48) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL4541363 0.91 ADORA3 (0.48) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL13269086 0.91 ADORA3 (0.48) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL622587 0.91 ADORA3 (0.49) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL13268909 0.89 ADORA3 (0.46) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL13269077 0.89 ADORA3 (0.46) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL14696729 0.89 ADORA3 (0.46) ADORA3ADORA2AGMPSPI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753432-B2 Compound with analgesic effect for use in prevention and treatment of pain ACADEMIA SINICA (TW) 2023-09-12 US claimed
EP-3573996-B1 COMPOUND WITH ANALGESIC EFFECT FOR USE IN PREVENTION AND TREATMENT OF PAIN ACADEMIA SINICA (TW) 2022-06-15 EP claimed
CN-110799517-A Compound having analgesic effect for preventing and treating pain 中央研究院 2020-02-14 CN claimed
WO-2018140734-A1 COMPOUND WITH ANALGESIC EFFECT FOR USE IN PREVENTION AND TREATMENT OF PAIN ACADEMIA SINICA (TW) 2018-08-02 WO claimed
US-20170224716-A1 Methods and Compositions for Treating Pain ACADEMIA SINICA (TW) 2017-08-10 US claimed
US-20150038445-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACADEMIA SINICA (TW) 2015-02-05 US claimed
CN-101602786-B N<6>-substituted adenosine derivative, preparation method thereof, drug composition and application INST MATERIA MEDICA CAMS 2014-04-30 CN claimed
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 US claimed
EP-2511283-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-10-17 EP claimed
US-8129357-B2 N6-(4-hydroxybenzyl)adenosine; Gastrodia extract; neurodegenerative Huntington's disease; trinucleotide repeat disease; hypoglycemic; neurological antiinflammatory; amination of 6-chloropurine ribonucleoside with 4-hydroxybenzylamine; condensation of adenosine with 4-methoxybenzoyl chloride ACADEMIA SINICA (TW) 2012-03-06 US claimed
CN-101602786-A N 6-substituted adenosines derivative, its method for making and pharmaceutical composition and purposes INST MATERIA MEDICA CAMS (CN) 2009-12-16 CN claimed
US-20080176816-A1 Method of making and using an adenosine analogue ACADEMIA SINICA 2008-07-24 US claimed
CN-118063289-A Pentagene compounds and application thereof in treating diabetes 中国医学科学院药物研究所 2024-05-24 CN disclosed
CN-118063290-A Hexadibenzyl compounds and application thereof in treatment and prevention of diabetes 中国医学科学院药物研究所 2024-05-24 CN disclosed
CN-118063291-A Application of tetrabenzyl compounds in treatment and prevention of diabetes 中国医学科学院药物研究所 2024-05-24 CN disclosed
US-20240010669-A1 COMPOUND WITH ANALGESIC EFFECT FOR USE IN PREVENTION AND TREATMENT OF PAIN ACADEMIA SINICA (TW) 2024-01-11 US disclosed
WO-2012064340-A1 DUAL-ACTION COMPOUNDS TARGETING ADENOSINE A2A RECEPTOR AND ADENOSINE TRANSPORTER FOR PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES ACADEMIA SINICA (TW) 2012-05-18 WO disclosed
US-8129357-B2 N6-(4-hydroxybenzyl)adenosine; Gastrodia extract; neurodegenerative Huntington's disease; trinucleotide repeat disease; hypoglycemic; neurological antiinflammatory; amination of 6-chloropurine ribonucleoside with 4-hydroxybenzylamine; condensation of adenosine with 4-methoxybenzoyl chloride ACADEMIA SINICA (TW) 2012-03-06 US disclosed
CN-101602786-A N 6-substituted adenosines derivative, its method for making and pharmaceutical composition and purposes INST MATERIA MEDICA CAMS (CN) 2009-12-16 CN disclosed
US-20080176816-A1 Method of making and using an adenosine analogue ACADEMIA SINICA 2008-07-24 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 (6 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-20080176816-A1 Method of making and using an adenosine analogue HTT, ADA, GDA ADORA3 11/4885ADORA2A 8/4885GMPS 265/4885
US-20240010669-A1 COMPOUND WITH ANALGESIC EFFECT FOR USE IN PREVENTION AND TREATMENT OF PAIN ADORA2B, ADORA1, ADORA3 ADORA3 3/4885ADORA2A 4/4885GMPS 281/4885
US-20170224716-A1 Methods and Compositions for Treating Pain ADORA2A, P2RX3, ADORA1 ADORA3 12/4885ADORA2A 1/4885GMPS 2341/4885
US-20150038445-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN OPRK1, ADORA2A, P2RX3 ADORA3 8/4885ADORA2A 2/4885GMPS 1763/4885
US-11753432-B2 Compound with analgesic effect for use in prevention and treatment of pain ADORA2B, ADORA1, ADORA3 ADORA3 3/4885ADORA2A 4/4885GMPS 194/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA2A 1/4885GMPS 866/4885

“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.