SCHEMBL13625768

SCHEMBL13625768

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ LIPE Q05469 2/20 0.31
▸ ACACB O00763 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ VCP P55072 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HIF1A Q16665 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
SCHEMBL13625863 0.96 ADORA3 (0.36) ADORA3MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13626076 0.95 ADORA3 (0.34) ADORA3LIPEMEN1KMT2A
SCHEMBL13625683 0.95 ADORA3 (0.34) ADORA3
SCHEMBL13625767 0.93 CYP1A2 (0.36) ADORA3
SCHEMBL14393656 0.92 ADORA3 (0.33) ADORA3ACACB
SCHEMBL13819686 0.88 MEN1 (0.31) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL13625769 0.87 GRIN2B (0.40) CYP3A4SMN1; SMN2
SCHEMBL13819681 0.87 ACACB (0.32) ACACBMEN1ALDH1A1LMNACYP3A4
SCHEMBL13819682 0.86 MEN1 (0.31) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL13625864 0.86 ADORA2A (0.33) LIPEMEN1LMNAKMT2A

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 3/4885MAP4K4 3288/4885LIPE 3358/4885

“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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