SCHEMBL2492838

SCHEMBL2492838

OCC1OC(n2cnc3c(NC4CCCC4)nc(Cl)nc32)C(O)C1O

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
SCHEMBL29354999 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL16081269 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL120439 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013049725-A2 METHODS OF USING ADENOSINE A1 RECEPTOR ACTIVATION FOR TREATING DEPRESSION TUFTS UNIVERSITY (US) 2013-04-04 WO claimed
CN-119365476-A Cyclopentyl adenosine derivative and pharmaceutical application thereof 上海森辉医药有限公司 2025-01-24 CN disclosed
US-20140241990-A1 METHODS OF USING ADENOSINE A1 RECEPTOR ACTIVATION FOR TREATING DEPRESSION TUFTS UNIVERSITY (US) 2014-08-28 US disclosed
WO-2013049725-A2 METHODS OF USING ADENOSINE A1 RECEPTOR ACTIVATION FOR TREATING DEPRESSION TUFTS UNIVERSITY (US) 2013-04-04 WO disclosed
EP-2555775-A1 COMBINATION COMPOSITIONS OF ADENOSINE A1 AGONISTS AND CARBONIC ANHYDRASE INHIBITORS FOR REDUCING INTRAOCULAR PRESSURE Inotek Pharmaceuticals Corporation (US) 2013-02-13 EP disclosed
WO-2011116290-A1 COMBINATION COMPOSITIONS OF ADENOSINE A1 AGONISTS AND CARBONIC ANHYDRASE INHIBITORS FOR REDUCING INTRAOCULAR PRESSURE INOTEK PHARMACEUTICALS CORPORATION (US) 2011-09-22 WO disclosed
US-20090156544-A1 A1 ADENOSINE RECEPTOR AGONISTS ELZEIN ELFATIH 2009-06-18 US disclosed
US-7514417-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2009-04-07 US disclosed
US-7381714-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2008-06-03 US disclosed
EP-1883646-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2008-02-06 EP disclosed
EP-1881991-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2008-01-30 EP disclosed
US-20060281705-A1 A1 adenosine receptor agonists CV THERAPEUTICS, INC. 2006-12-14 US disclosed
US-20060276428-A1 A1 adenosine receptor agonists CV THERAPEUTICS, INC. 2006-12-07 US disclosed
WO-2006125211-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2006-11-23 WO disclosed
WO-2006125190-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2006-11-23 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 (4 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-20090156544-A1 A1 ADENOSINE RECEPTOR AGONISTS ADORA1, ADORA2A, ADORA3 ADORA3 3/4885ADORA2A 2/4885ADORA1 1/4885
US-20140241990-A1 METHODS OF USING ADENOSINE A1 RECEPTOR ACTIVATION FOR TREATING DEPRESSION ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA2A 1/4885ADORA1 2/4885
US-20060281705-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 ADORA3 3/4885ADORA2A 2/4885ADORA1 1/4885
US-20060276428-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 ADORA3 3/4885ADORA2A 2/4885ADORA1 1/4885

“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.