SCHEMBL239273

SCHEMBL239273

CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NC(CC)CC)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.65
ADORA3 P0DMS8 15/20 0.65
ADORA1 P30542 12/20 0.61
HTR2C P28335 6/20 0.54
HTR2B P41595 6/20 0.54
TMIGD3 P0DMS9 5/20 0.54
TSPO P30536 1/20 0.44

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
SCHEMBL12196646 0.89 ADORA3 (0.55) ADORA2AADORA3ADORA1
SCHEMBL10156160 0.89 ADORA3 (0.55) ADORA2AADORA3ADORA1HTR2CHTR2B
SCHEMBL1412247 0.86 ADORA2A (0.57) ADORA2AADORA3ADORA1
SCHEMBL239591 0.86 ADORA2A (0.57) ADORA2AADORA3ADORA1
SCHEMBL1412175 0.86 ADORA2A (0.57) ADORA2AADORA3ADORA1
SCHEMBL1833924 0.86 ADORA2A (0.57) ADORA2AADORA3ADORA1
SCHEMBL1412177 0.86 ADORA2A (0.57) ADORA2AADORA3ADORA1
SCHEMBL293365 0.86 ADORA2A (0.57) ADORA2AADORA3ADORA1
SCHEMBL1833926 0.86 ADORA2A (0.57) ADORA2AADORA3ADORA1
SCHEMBL3026443 0.85 ADORA3 (0.57) ADORA2AADORA3ADORA1HTR2B

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-1805181-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-08-29 EP disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8163754-B2 inflammatory or obstructive airways diseases; in combination with an antiinflammatory, bronchodilatory, antihistamine or anti-tussive; N-[4-(6-Amino-2-phenethylamino-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-propionamide NOVARTIS AG (CH) 2012-04-24 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2018388-B9 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2011-10-05 EP disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
EP-2018388-B1 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2011-03-16 EP disclosed
EP-2292619-A1 Purine derivatives for use as adenonsin A-2A receptor agonists Novartis AG (CH) 2011-03-09 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US disclosed
US-20090105476-A1 Organic Compounds NOVARTIS AG 2009-04-23 US disclosed
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists NOVARTIS AG (CH) 2008-08-21 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 ADORA2A 2741/4885ADORA3 795/4885ADORA1 1271/4885
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA1 2/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ADORA2A 2741/4885ADORA3 795/4885ADORA1 1271/4885
US-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 ADORA2A 1137/4885ADORA3 1044/4885ADORA1 697/4885
US-20090105476-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 ADORA2A 2741/4885ADORA3 795/4885ADORA1 1271/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ADORA2A 2741/4885ADORA3 795/4885ADORA1 1271/4885

“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.