SCHEMBL120938

SCHEMBL120938

OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.98
ADORA2A P29274 6/20 0.98
ADORA2B P29275 4/20 0.98
ADORA1 P30542 4/20 0.98
MEN1 O00255 1/20 0.98
CYP1A2 P05177 1/20 0.98
MAPK1 P28482 1/20 0.98
KMT2A Q03164 1/20 0.98
RXFP1 Q9HBX9 1/20 0.96
PMP22 Q01453 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
TDP1 Q9NUW8 1/20 0.74

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
SCHEMBL9498481 1.00 ADORA3 (0.98) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL17808982 1.00 ADORA3 (0.98) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL4803030 1.00 ADORA3 (0.98) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL2492838 0.99 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL12264514 0.99 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL472609 0.99 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL3950346 0.99 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL2461163 0.99 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL19807522 0.99 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL29354999 0.99 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1MEN1

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 13 patents. 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
US-20160158267-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION INOTEK PHARMACEUTICALS CORPORATION 2016-06-09 US 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-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
EP-2424546-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS Inotek Pharmaceuticals Corporation (US) 2012-03-07 EP 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
EP-0253962-B1 USE OF ADENOSINE DERIVATIVES AS ANTI-DEMENTIA AGENTS HOECHST JAPAN LIMITED (JP) 1993-03-24 EP 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-20100279970-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS PDE6G, NDUFB7, PDE3A ADORA3 3673/4885ADORA2A 2480/4885ADORA2B 2500/4885
US-20160158267-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION ADORA2A, ADORA1, PDE6C ADORA3 4/4885ADORA2A 1/4885ADORA2B 5/4885
US-20140275128-A1 METHOD OF PROVIDING OCULAR NEUROPROTECTION ALDH1A2, GAP43, ALDH1A3 ADORA3 226/4885ADORA2A 24/4885ADORA2B 89/4885
US-20130217643-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS PDE6G, NDUFB7, PDE3A ADORA3 3673/4885ADORA2A 2480/4885ADORA2B 2500/4885

“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.