SCHEMBL16256444

SCHEMBL16256444

CC(C)(C)CC(=O)OC[C@H]1OC(n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 14/20 0.69
▸ ADORA3 P0DMS8 6/20 0.69
▸ ADORA2A P29274 2/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ ADORA2B P29275 1/20 0.69
▸ TAS1R3 Q7RTX0 1/20 0.55
▸ TAS1R1 Q7RTX1 1/20 0.55

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
SCHEMBL12332479 1.00 ADORA1 (0.69) ADORA1ADORA3ADORA2ACYP2D6ADORA2B
SCHEMBL15061400 1.00 ADORA1 (0.69) ADORA1ADORA3ADORA2ACYP2D6ADORA2B
SCHEMBL12226386 1.00 ADORA1 (0.69) ADORA1ADORA3ADORA2ACYP2D6ADORA2B
SCHEMBL12200119 1.00 ADORA1 (0.69) ADORA1ADORA3ADORA2ACYP2D6ADORA2B
SCHEMBL15425649 1.00 ADORA1 (0.69) ADORA1ADORA3ADORA2ACYP2D6ADORA2B
SCHEMBL15061399 1.00 ADORA1 (0.69) ADORA1ADORA3ADORA2ACYP2D6ADORA2B
SCHEMBL16575066 1.00 ADORA1 (0.69) ADORA1ADORA3ADORA2ACYP2D6ADORA2B
SCHEMBL15426676 0.88 ADORA1 (0.55) ADORA1ADORA3ADORA2ACYP2D6ADORA2B
SCHEMBL15425654 0.88 ADORA1 (0.55) ADORA1ADORA3ADORA2ACYP2D6ADORA2B
SCHEMBL6660666 0.86 ADORA3 (0.79) ADORA1ADORA3ADORA2ACYP2D6ADORA2B

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 2 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

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

For each of this compound's patents that has machine-readable text (1 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-20160158268-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS PDE3A, PDE2A, PDE6C ADORA1 18/4885ADORA3 31/4885ADORA2A 25/4885

“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.

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