SCHEMBL120576

SCHEMBL120576

CC1(C)[C@]2(O)[C@H](n3cnc4c(NC5CCCC5)nc(Cl)nc43)O[C@H](CO[N+](=O)[O-])[C@]12O

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.64
ADORA3 P0DMS8 7/20 0.64
ADORA2A P29274 6/20 0.64
ADORA2B P29275 4/20 0.64
ALOX15 P16050 1/20 0.57

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
SCHEMBL122975 0.88 ADORA1 (0.62) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL119964 0.86 ADORA1 (0.70) ADORA1ADORA3ADORA2AADORA2BALOX15
SCHEMBL120988 0.85 ADORA1 (0.69) ADORA1ADORA3ADORA2AADORA2BALOX15
SCHEMBL121749 0.78 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL17200150 0.78 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL3745649 0.78 ADORA3 (0.75) ADORA1ADORA3ADORA2AADORA2BALOX15
SCHEMBL120046 0.78 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL14378176 0.75 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL2821282 0.74 ADORA2A (0.58) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL14829529 0.73 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3247715-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION Inotek Pharmaceuticals Corporation (US) 2017-11-29 EP disclosed
WO-2016090005-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION INOTEK PHARMACEUTICALS CORPORATION (US) 2016-06-09 WO disclosed
EP-2968388-A1 A METHOD OF PROVIDING OCULAR NEUROPROTECTION Inotek Pharmaceuticals Corporation (US) 2016-01-20 EP disclosed
EP-2424546-B1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORP (US) 2015-10-28 EP disclosed
WO-2014152733-A1 A METHOD OF PROVIDING OCULAR NEUROPROTECTION INOTEK PHARMACEUTICALS CORPORATION (US) 2014-09-25 WO disclosed
US-20140275128-A1 METHOD OF PROVIDING OCULAR NEUROPROTECTION INOTEK PHARMACEUTICALS CORPORATION (US) 2014-09-18 US disclosed
US-8609833-B2 Purine derivatives as adenosine A1 receptor agonists and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2013-12-17 US disclosed
US-20130217643-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION (US) 2013-08-22 US disclosed
US-8470800-B2 Method of reducing intraocular pressure in humans INOTEK PHARMACEUTICALS CORPORATION (US) 2013-06-25 US disclosed
US-20120264706-A1 PURINE DERIVATIVES AS ADENOSINE A1 RECEPTOR AGONISTS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2012-10-18 US disclosed
WO-2010127210-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION (US) 2010-11-04 WO disclosed
EP-1758596-B9 PURINE DERIVATIVES AS ADENOSINE A1 RECEPTOR AGONISTS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2010-09-15 EP disclosed
EP-2221307-A1 Purine derivatives as adenosine A1 receptor agonists and methods of use thereof Inotek Pharmaceuticals Corporation (US) 2010-08-25 EP disclosed
EP-1758596-B1 PURINE DERIVATIVES AS ADENOSINE A1 RECEPTOR AGONISTS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2010-03-31 EP disclosed
US-20090062314-A1 Purine derivatives as adenosine A1 receptor agonists and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2009-03-05 US disclosed
US-7423144-B2 Purine Derivatives as adenosine A1 receptor agonists and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2008-09-09 US disclosed
EP-1758596-A4 PURINE DERIVATIVES AS ADENOSINE A1 RECEPTOR AGONISTS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2007-08-01 EP disclosed
EP-1758596-A2 PURINE DERIVATIVES AS ADENOSINE A1 RECEPTOR AGONISTS AND METHODS OF USE THEREOF Inotek Pharmaceuticals Corporation (US) 2007-03-07 EP disclosed
US-20050282768-A1 Purine derivatives as adenosine A1 receptor agonists and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2005-12-22 US disclosed
WO-2005117910-A2 PURINE DERIVATIVES AS ADENOSINE A1 RECEPTOR AGONISTS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2005-12-15 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 (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-20050282768-A1 Purine derivatives as adenosine A1 receptor agonists and methods of use thereof ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA3 3/4885ADORA2A 1/4885
US-20090062314-A1 Purine derivatives as adenosine A1 receptor agonists and methods of use thereof ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA3 3/4885ADORA2A 1/4885
US-20120264706-A1 PURINE DERIVATIVES AS ADENOSINE A1 RECEPTOR AGONISTS AND METHODS OF USE THEREOF ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA3 3/4885ADORA2A 1/4885
US-20140275128-A1 METHOD OF PROVIDING OCULAR NEUROPROTECTION ALDH1A2, GAP43, ALDH1A3 ADORA1 101/4885ADORA3 226/4885ADORA2A 24/4885
US-20130217643-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS PDE6G, NDUFB7, PDE3A ADORA1 1957/4885ADORA3 3673/4885ADORA2A 2480/4885

“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.