SCHEMBL13625767

SCHEMBL13625767

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MGLL Q99685 2/20 0.34
▸ FAAH O00519 2/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33

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 0.93 ADORA3 (0.32) ADORA3
SCHEMBL13625863 0.92 ADORA3 (0.36) ADORA3ADORA2A
SCHEMBL13625862 0.91 GRIN2B (0.34) ADORA3ADORA2A
SCHEMBL13625683 0.91 ADORA3 (0.34) ADORA3ADORA2A
SCHEMBL13626076 0.91 ADORA3 (0.34) ADORA3ADORA2A
SCHEMBL14393656 0.88 ADORA3 (0.33) ADORA3ADORA2A
SCHEMBL14393622 0.84 MGLL (0.31) MGLLADORA2A
SCHEMBL13819686 0.83 MEN1 (0.31) —
SCHEMBL13625769 0.83 GRIN2B (0.40) CYP2D6
SCHEMBL14393617 0.83 GRIN2B (0.32) CYP2D6ADORA2A

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 CYP1A2 701/4885CYP2D6 1308/4885MGLL 2377/4885

“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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