SCHEMBL122575

SCHEMBL122575

Nc1nc(C2CC3CCC2C3)nc2c1ncn2[C@@H]1O[C@H](CO[N+](=O)[O-])[C@@H](O)[C@H]1O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.66
ADORA1 P30542 8/20 0.66
ADORA2A P29274 5/20 0.66
ADORA2B P29275 5/20 0.66
CA5A P35218 1/20 0.49
NT5E P21589 4/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL7205266 0.85 ADORA2A (0.63) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL6745798 0.80 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL6745804 0.77 ADORA1 (1.00) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL7605264 0.77 ADORA1 (1.00) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL1810956 0.76 ADORA1 (1.00) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL169036 0.76 ADORA1 (1.00) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL8893183 0.74 ADORA1 (0.69) ADORA3ADORA1ADORA2AADORA2BNT5E
Hydrochloric Acid SCHEMBL11764383 0.71 LMNA (0.50) ADORA3ADORA2AADORA2BNT5E
SCHEMBL2033894 0.71 ADORA1 (0.60) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL11880590 0.70 ADORA2A (0.56) ADORA3ADORA2AADORA2BNT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2555775-B1 COMBINATION COMPOSITIONS OF ADENOSINE A1 AGONISTS AND CARBONIC ANHYDRASE INHIBITORS FOR REDUCING INTRAOCULAR PRESSURE INOTEK PHARMACEUTICALS CORP (US) 2016-12-07 EP disclosed
EP-2555776-B1 COMBINATION COMPOSITIONS OF ADENOSINE A1 AGONISTS AND NON-SELECTIVE BETA-ADRENERGIC RECEPTOR BLOCKERS FOR REDUCING INTRAOCULAR PRESSURE INOTEK PHARMACEUTICALS CORP (US) 2016-12-07 EP disclosed
US-20160158267-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION INOTEK PHARMACEUTICALS CORPORATION 2016-06-09 US disclosed
EP-2424546-B1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORP (US) 2015-10-28 EP disclosed
US-20140275128-A1 METHOD OF PROVIDING OCULAR NEUROPROTECTION INOTEK PHARMACEUTICALS CORPORATION (US) 2014-09-18 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-8440639-B2 Combination compositions for reducing intraocular pressure INOTEK PHARMACEUTICALS CORPORATION (US) 2013-05-14 US disclosed
EP-2424546-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS Inotek Pharmaceuticals Corporation (US) 2012-03-07 EP disclosed
US-20110245193-A1 COMBINATION COMPOSITIONS FOR REDUCING INTRAOCULAR PRESSURE INOTEK PHARMACEUTICALS CORPORATION (US) 2011-10-06 US disclosed
WO-2010127210-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION (US) 2010-11-04 WO disclosed
US-20100279970-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION (US) 2010-11-04 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 (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-20100279970-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS PDE6G, NDUFB7, PDE3A ADORA3 3673/4885ADORA1 1957/4885ADORA2A 2480/4885
US-20160158267-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION ADORA2A, ADORA1, PDE6C ADORA3 4/4885ADORA1 2/4885ADORA2A 1/4885
US-20140275128-A1 METHOD OF PROVIDING OCULAR NEUROPROTECTION ALDH1A2, GAP43, ALDH1A3 ADORA3 226/4885ADORA1 101/4885ADORA2A 24/4885
US-20110245193-A1 COMBINATION COMPOSITIONS FOR REDUCING INTRAOCULAR PRESSURE ADORA1, ADORA2A, ADORA3 ADORA3 3/4885ADORA1 1/4885ADORA2A 2/4885
US-20130217643-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS PDE6G, NDUFB7, PDE3A ADORA3 3673/4885ADORA1 1957/4885ADORA2A 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.