SCHEMBL15425652

SCHEMBL15425652

CC1(C)O[C@@H]2[C@@H](CO)OC(n3cnc4c(N[C@H]5CCC[C@@H]5OCc5ccccc5)ncnc43)[C@@H]2O1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.76
ADORA1 P30542 6/20 0.76
ADORA3 P0DMS8 2/20 0.64

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
SCHEMBL15426675 1.00 ADORA2A (0.76) ADORA2AADORA1ADORA3
SCHEMBL14415212 0.87 ADORA2A (0.76) ADORA2AADORA1ADORA3
SCHEMBL12217748 0.86 ADORA2A (1.00) ADORA2AADORA1ADORA3
SCHEMBL12629177 0.86 ADORA2A (1.00) ADORA2AADORA1ADORA3
SCHEMBL1858701 0.86 ADORA2A (1.00) ADORA2AADORA1ADORA3
SCHEMBL24436871 0.86 ADORA2A (1.00) ADORA2AADORA1ADORA3
SCHEMBL24436981 0.86 ADORA2A (1.00) ADORA2AADORA1ADORA3
SCHEMBL1864206 0.86 ADORA2A (1.00) ADORA2AADORA1ADORA3
SCHEMBL22452094 0.86 ADORA2A (1.00) ADORA2AADORA1ADORA3
SCHEMBL1860498 0.86 ADORA2A (1.00) ADORA2AADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160158268-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION 2016-06-09 US disclosed
US-8895530-B2 Method of reducing intraocular pressure in humans INOTEK PHARMACEUTICALS CORPORATION (US) 2014-11-25 US disclosed
US-20140018314-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION (US) 2014-01-16 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 (2 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-20140018314-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS PDE3A, PDE2A, PDE6C ADORA2A 25/4885ADORA1 18/4885ADORA3 31/4885
US-20160158268-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS PDE3A, PDE2A, PDE6C ADORA2A 25/4885ADORA1 18/4885ADORA3 31/4885

“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.