SCHEMBL12226014

SCHEMBL12226014

CC1(C)O[C@@H]2C(COC(=O)C(Cl)Cl)OC(n3cnc4c(N[C@H]5CCC[C@@H]5OC(=O)C(Cl)Cl)nncc43)[C@@H]2O1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 7/20 0.36
▸ ADORA2A P29274 7/20 0.36
▸ ADORA3 P0DMS8 2/20 0.36
▸ ADORA2B P29275 3/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ P2RX1 P51575 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ P2RX4 Q99571 1/20 0.34
▸ PI4KA P42356 1/20 0.34
▸ PI4K2B Q8TCG2 1/20 0.34
▸ PI4K2A Q9BTU6 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL15080706 1.00 ADORA1 (0.36) ADORA1ADORA2AADORA3ADORA2BRXFP1
SCHEMBL15080702 0.93 RXFP1 (0.35) ADORA1ADORA2AADORA3ADORA2BRXFP1
SCHEMBL12226013 0.93 RXFP1 (0.35) ADORA1ADORA2AADORA3ADORA2BRXFP1
SCHEMBL15080701 0.87 ADORA1 (0.44) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL12226018 0.87 ADORA1 (0.44) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL15426673 0.86 ADORA2A (0.51) ADORA1ADORA2AADORA3ADORA2BRXFP1
SCHEMBL12226009 0.80 ADORA1 (0.45) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL15080703 0.80 ADORA1 (0.45) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL15080705 0.79 RXFP1 (0.35) ADORA1ADORA2AADORA2BRXFP1P2RX1
SCHEMBL12226016 0.79 RXFP1 (0.35) ADORA1ADORA2AADORA2BRXFP1P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245195-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION (US) 2011-10-06 — — 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-20110245195-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS PDE3A, PDE2A, PDE6C ADORA1 18/4885ADORA2A 25/4885ADORA3 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.

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