SCHEMBL13625863

SCHEMBL13625863

CCNC(=O)[C@@H](OCn1cnc2c(N)nc(CC3CCN(C(=O)Oc4ccc(OC)cc4)CC3)nc21)C(O)CO

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ GRIN2B Q13224 1/20 0.32
▸ NPY2R P49146 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ P2RX3 P56373 1/20 0.31
▸ CHKA P35790 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
SCHEMBL13625768 0.96 ADORA3 (0.32) ADORA3SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL13625683 0.94 ADORA3 (0.34) ADORA3ADORA2A
SCHEMBL13626076 0.94 ADORA3 (0.34) ADORA3ADORA2AMEN1KMT2A
SCHEMBL13625767 0.92 CYP1A2 (0.36) ADORA3ADORA2A
SCHEMBL14393656 0.91 ADORA3 (0.33) ADORA3ADORA2A
SCHEMBL13819686 0.87 MEN1 (0.31) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL13625722 0.86 ADORA2A (0.34) ADORA2AMEN1KMT2A
SCHEMBL13625769 0.86 GRIN2B (0.40) SMN1; SMN2HTTGRIN2B
SCHEMBL13819681 0.86 ACACB (0.32) SMN1; SMN2ALDH1A1PIK3CDMEN1KMT2A
SCHEMBL13819682 0.86 MEN1 (0.31) SMN1; SMN2ALDH1A1MEN1KMT2A

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 ADORA3 3/4885SMN1; SMN2 3971/4885ADORA2A 1/4885

“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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