SCHEMBL13819680

SCHEMBL13819680

CCNC(=O)[C@@H](OCn1cnc2c(N)nc(CC3CCN(C(=O)OC4CCOC4)CC3)nc21)C(O)CO

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.33
▸ MTOR P42345 2/20 0.32
▸ ADAM10 O14672 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ MMP9 P14780 1/20 0.31

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
SCHEMBL13819447 0.91 ADORA2A (0.34) GPR119
SCHEMBL13819681 0.90 ACACB (0.32) —
SCHEMBL12010054 0.88 MEN1 (0.31) —
SCHEMBL13819288 0.87 MEN1 (0.32) —
SCHEMBL13819679 0.87 MEN1 (0.30) —
SCHEMBL13819686 0.86 MEN1 (0.31) —
SCHEMBL13819677 0.86 MEN1 (0.33) —
SCHEMBL13819685 0.85 MEN1 (0.31) —
SCHEMBL13819682 0.85 MEN1 (0.31) —
SCHEMBL13819673 0.85 MEN1 (0.32) —

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 GPR119 92/4885MTOR 3888/4885ADAM10 4697/4885

“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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