SCHEMBL169036

SCHEMBL169036

O=[N+]([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CC5CCC4C5)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 1.00
ADORA3 P0DMS8 6/20 0.74
ADORA2A P29274 5/20 0.74
ADORA2B P29275 3/20 0.74
HIF1A Q16665 1/20 0.74
LMNA P02545 1/20 0.74
MAPT P10636 1/20 0.74
BLM P54132 1/20 0.74
PMP22 Q01453 1/20 0.74
HTR7 P34969 1/20 0.73
TMEM97 Q5BJF2 1/20 0.73
SIGMAR1 Q99720 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
SCHEMBL1810956 1.00 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL6663117 0.88 ADORA1 (0.80) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL10607404 0.88 ADORA1 (0.80) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL14906550 0.88 ADORA1 (0.80) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL32661731 0.86 ADORA1 (0.77) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL6745863 0.86 ADORA1 (0.80) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL12319037 0.86 ADORA1 (0.78) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL6746215 0.86 ADORA1 (0.80) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL6745873 0.86 ADORA1 (0.80) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL6745849 0.86 ADORA1 (0.80) ADORA1ADORA3ADORA2AADORA2B

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 72 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 claimed
US-20160367586-A1 COMBINATION, KIT AND METHOD OF REDUCING INTRAOCULAR PRESSURE INOTEK PHARMACEUTICALS CORPORATION 2016-12-22 US claimed
US-20160158267-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION INOTEK PHARMACEUTICALS CORPORATION 2016-06-09 US claimed
WO-2016090005-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION INOTEK PHARMACEUTICALS CORPORATION (US) 2016-06-09 WO claimed
EP-2968388-A1 A METHOD OF PROVIDING OCULAR NEUROPROTECTION Inotek Pharmaceuticals Corporation (US) 2016-01-20 EP claimed
US-8877732-B2 Combination, kit and method of reducing intraocular pressure INOTEK PHARMACEUTICALS CORPORATION (US) 2014-11-04 US claimed
WO-2014152733-A1 A METHOD OF PROVIDING OCULAR NEUROPROTECTION INOTEK PHARMACEUTICALS CORPORATION (US) 2014-09-25 WO claimed
US-20140275128-A1 METHOD OF PROVIDING OCULAR NEUROPROTECTION INOTEK PHARMACEUTICALS CORPORATION (US) 2014-09-18 US claimed
US-20130217643-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION (US) 2013-08-22 US claimed
US-8470800-B2 Method of reducing intraocular pressure in humans INOTEK PHARMACEUTICALS CORPORATION (US) 2013-06-25 US claimed
EP-2424546-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS Inotek Pharmaceuticals Corporation (US) 2012-03-07 EP claimed
US-20110251151-A1 COMBINATION COMPOSITIONS FOR REDUCING INTRAOCULAR PRESSURE INOTEK PHARMACEUTICALS CORPORATION (US) 2011-10-13 US claimed
US-20110245193-A1 COMBINATION COMPOSITIONS FOR REDUCING INTRAOCULAR PRESSURE INOTEK PHARMACEUTICALS CORPORATION (US) 2011-10-06 US claimed
WO-2011116292-A1 COMBINATION COMPOSITIONS OF ADENOSINE A1 AGONISTS AND NON-SELECTIVE BETA-ADRENERGIC RECEPTOR BLOCKERS FOR REDUCING INTRAOCULAR PRESSURE INOTEK PHARMACEUTICALS CORPORATION (US) 2011-09-22 WO claimed
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 claimed
US-20110172177-A1 COMBINATION, KIT AND METHOD OF REDUCING INTRAOCULAR PRESSURE INOTEK PHARMACEUTICALS CORPORATION (US) 2011-07-14 US claimed
WO-2011085361-A1 COMBINATION, KIT AND METHOD OF REDUCING INTRAOCULAR PRESSURE INOTEK PHARMACEUTICALS CORPORATION (US) 2011-07-14 WO claimed
US-20110123622-A1 OPHTHALMIC FORMULATION AND METHOD OF MANUFACTURE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2011-05-26 US claimed
WO-2010127210-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION (US) 2010-11-04 WO claimed
US-20100279970-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION (US) 2010-11-04 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20110172177-A1 COMBINATION, KIT AND METHOD OF REDUCING INTRAOCULAR PRESSURE PTGIR, ADORA1, PDE3A ADORA1 2/4885ADORA3 7/4885ADORA2A 4/4885
US-20110123622-A1 OPHTHALMIC FORMULATION AND METHOD OF MANUFACTURE THEREOF ADRA1A, ADRA1B, ADRA1D ADORA1 6/4885ADORA3 20/4885ADORA2A 8/4885
US-20100279970-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS PDE6G, NDUFB7, PDE3A ADORA1 1957/4885ADORA3 3673/4885ADORA2A 2480/4885
US-20160158267-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION ADORA2A, ADORA1, PDE6C ADORA1 2/4885ADORA3 4/4885ADORA2A 1/4885
US-20160367586-A1 COMBINATION, KIT AND METHOD OF REDUCING INTRAOCULAR PRESSURE PTGIR, ADORA1, PDE3A ADORA1 2/4885ADORA3 7/4885ADORA2A 4/4885
US-20110251151-A1 COMBINATION COMPOSITIONS FOR REDUCING INTRAOCULAR PRESSURE ADORA1, ADRA1A, ADRB1 ADORA1 1/4885ADORA3 10/4885ADORA2A 5/4885
US-20140275128-A1 METHOD OF PROVIDING OCULAR NEUROPROTECTION ALDH1A2, GAP43, ALDH1A3 ADORA1 101/4885ADORA3 226/4885ADORA2A 24/4885
US-20110245193-A1 COMBINATION COMPOSITIONS FOR REDUCING INTRAOCULAR PRESSURE ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA3 3/4885ADORA2A 2/4885
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.