SCHEMBL120988

SCHEMBL120988

CC1(C)[C@]2(O)[C@@H](CO)O[C@@H](n3cnc4c(NC5CCCCC5)nc(Cl)nc43)[C@]12O

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.69
ADORA2A P29274 5/20 0.69
ADORA3 P0DMS8 5/20 0.69
ADORA2B P29275 5/20 0.69
ALOX15 P16050 1/20 0.69
MEN1 O00255 1/20 0.58
CYP1A2 P05177 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
RXFP1 Q9HBX9 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
SCHEMBL119964 0.99 ADORA1 (0.70) ADORA1ADORA2AADORA3ADORA2BALOX15
SCHEMBL3745649 0.91 ADORA3 (0.75) ADORA1ADORA2AADORA3ADORA2BALOX15
SCHEMBL121441 0.86 ADORA3 (0.69) ADORA1ADORA2AADORA3ADORA2BMEN1
SCHEMBL118827 0.85 ADORA3 (0.69) ADORA1ADORA2AADORA3ADORA2BMEN1
SCHEMBL120576 0.85 ADORA1 (0.64) ADORA1ADORA2AADORA3ADORA2BALOX15
SCHEMBL14829529 0.82 ADORA1 (1.00) ADORA1ADORA2AADORA3ADORA2BALOX15
SCHEMBL29385091 0.82 ADORA1 (1.00) ADORA1ADORA2AADORA3ADORA2BALOX15
SCHEMBL1914129 0.82 ADORA1 (1.00) ADORA1ADORA2AADORA3ADORA2BALOX15
SCHEMBL20180024 0.78 ADORA3 (0.72) ADORA1ADORA2AADORA3ADORA2BALOX15
SCHEMBL9455871 0.77 ADORA3 (0.55) ADORA1ADORA2AADORA3ADORA2BALOX15

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 11 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
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

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

For each of this compound's patents that has machine-readable text (3 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 ADORA1 1957/4885ADORA2A 2480/4885ADORA3 3673/4885
US-20140275128-A1 METHOD OF PROVIDING OCULAR NEUROPROTECTION ALDH1A2, GAP43, ALDH1A3 ADORA1 101/4885ADORA2A 24/4885ADORA3 226/4885
US-20130217643-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS PDE6G, NDUFB7, PDE3A ADORA1 1957/4885ADORA2A 2480/4885ADORA3 3673/4885

“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.