SCHEMBL13625862

SCHEMBL13625862

CCNC(=O)[C@@H](OCn1cnc2c(N)nc(CC3CCN(C(=O)OCc4ccc([N+](=O)[O-])cc4)CC3)nc21)C(O)CO

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 6/20 0.34
▸ TPSAB1 Q15661 2/20 0.33
▸ TPSD1 Q9BZJ3 2/20 0.33
▸ TPSG1 Q9NRR2 2/20 0.33
▸ F2 P00734 1/20 0.33
▸ PLG P00747 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ ADORA2B P29275 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL14393617 0.92 GRIN2B (0.32) GRIN2BTPSAB1TPSD1TPSG1F2
SCHEMBL13625767 0.91 CYP1A2 (0.36) ADORA3ADORA2A
SCHEMBL13625769 0.91 GRIN2B (0.40) GRIN2B
SCHEMBL13625768 0.84 ADORA3 (0.32) ADORA3KMT2A
SCHEMBL13625863 0.83 ADORA3 (0.36) GRIN2BADORA3ADORA2AKMT2A
SCHEMBL13625892 0.82 GRIN2B (0.40) GRIN2B
SCHEMBL13626076 0.82 ADORA3 (0.34) ADORA3ADORA2AADORA2BKMT2A
SCHEMBL13625683 0.82 ADORA3 (0.34) ADORA3ADORA2AADORA2B
SCHEMBL13819681 0.82 ACACB (0.32) KMT2A
SCHEMBL13819686 0.81 MEN1 (0.31) KMT2A

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-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS PGXHEALTH, LLC (US) 2009-11-12 — — 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-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 GRIN2B 453/4885TPSAB1 1487/4885TPSD1 998/4885

“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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