SCHEMBL14393617

SCHEMBL14393617

Nc1nc(CC2CCN(C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2)nc2c1ncn2CO[C@H](C(=O)NC1CC1)[C@H](O)CO

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 9/20 0.32
▸ TPSAB1 Q15661 2/20 0.32
▸ TPSD1 Q9BZJ3 2/20 0.32
▸ TPSG1 Q9NRR2 2/20 0.32
▸ F2 P00734 1/20 0.32
▸ PLG P00747 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ CA2 P00918 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NT5E P21589 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
SCHEMBL13625862 0.92 GRIN2B (0.34) GRIN2BTPSAB1TPSD1TPSG1F2
SCHEMBL13625892 0.91 GRIN2B (0.40) GRIN2BCYP3A4CYP2D6CYP2C9
SCHEMBL14393622 0.86 MGLL (0.31) ADORA2AHTT
SCHEMBL13625766 0.85 GRIN2B (0.35) GRIN2BCYP3A4CYP2D6CYP2C9
SCHEMBL8932177 0.85 ADORA2A (0.41) ADORA2ACYP3A4
SCHEMBL8932185 0.84 GRIN2B (0.41) GRIN2BADORA2A
SCHEMBL8932187 0.84 ADORA2A (0.35) ADORA2ACYP3A4
SCHEMBL13625767 0.83 CYP1A2 (0.36) ADORA2ACYP2D6
SCHEMBL13625945 0.83 MGLL (0.33) ADORA2A
SCHEMBL14393604 0.83 MGLL (0.33) ADORA2A

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-20070270373-A1 Substituted aryl piperidinylalkynyladenosines as A2AR agonists ADENOSINE THERAPEUTICS, LLC 2007-11-22 — — 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-20070270373-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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