SCHEMBL13819447

SCHEMBL13819447

Nc1nc(CC2CCN(C(=O)OC3CCOC3)CC2)nc2c1ncn2CO[C@H](C(=O)NC1CC1)C(O)CO

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL13819680 0.91 GPR119 (0.33) GPR119
SCHEMBL13819323 0.89 ADORA2A (0.34) ADORA2A
SCHEMBL8932177 0.88 ADORA2A (0.41) ADORA2A
SCHEMBL12009933 0.87 ADORA2A (0.32) ADORA2A
SCHEMBL13819321 0.86 ADORA2A (0.33) ADORA2A
SCHEMBL13819328 0.86 ADORA2A (0.34) ADORA2A
SCHEMBL13819446 0.86 MEN1 (0.33) ADORA2A
SCHEMBL8932187 0.85 ADORA2A (0.35) ADORA2A
SCHEMBL13819448 0.85 MEN1 (0.33) ADORA2A
SCHEMBL13819327 0.85 ADORA2A (0.33) ADORA2A

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-20090162292-A1 SUBSTITUTED 4--PIPERIDINE-1-CARBOXYLIC ACID ESTERS AS A2AR AGONISTS PGXHEALTH, LLC (US) 2009-06-25 — — 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-20090162292-A1 SUBSTITUTED 4--PIPERIDINE-1-CARBOXYLIC ACID ESTERS AS A2AR AGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885GPR119 92/4885

“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.

Send feedback