SCHEMBL22644656

SCHEMBL22644656

COCCOc1ccc(N2CCN(CCN(C)C(=O)OC(C)(C)C)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.47
▸ ME2 P23368 1/20 0.44
▸ ME1 P48163 1/20 0.44
▸ ME3 Q16798 1/20 0.44
▸ RET P07949 2/20 0.43
▸ PPARA Q07869 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ DRD5 P21918 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ HRH3 Q9Y5N1 10/20 0.41
▸ DRD4 P21917 1/20 0.38

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
SCHEMBL22638133 0.87 GPR119 (0.50) GPR119ME2ME1ME3RET
SCHEMBL22644667 0.86 DRD4 (0.45) HRH3DRD4
SCHEMBL22644615 0.84 DRD2 (0.47) DRD2DRD1DRD5DRD3DRD4
SCHEMBL22644671 0.83 SLC6A2 (0.44) DRD2DRD4
SCHEMBL22644660 0.82 HTR1A (0.36) GPR119RETDRD2DRD4
SCHEMBL29749666 0.82 HTR1A (0.36) GPR119RETDRD2DRD4
SCHEMBL22644616 0.82 CXCR3 (0.43) DRD2DRD4
SCHEMBL25272575 0.82 PPARG (0.45) PPARADRD2DRD3HRH3DRD4
SCHEMBL31570895 0.82 PPARG (0.45) PPARADRD2DRD3HRH3DRD4
SCHEMBL22644650 0.81 PDK2 (0.36) RETDRD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12325708-B2 Adenosine 2 receptor antagonists NEKTAR THERAPEUTICS (US) 2025-06-10 — — US disclosed
US-20220235056-A1 ADENOSINE 2 RECEPTOR ANTAGONISTS NEKTAR THERAPEUTICS 2022-07-28 — — US disclosed
WO-2020227156-A1 ADENOSINE 2 RECEPTOR ANTAGONISTS NEKTAR THERAPEUTICS (US) 2020-11-12 — — WO 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 (2 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-20220235056-A1 ADENOSINE 2 RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA3 GPR119 70/4885ME2 1300/4885ME1 4360/4885
US-12325708-B2 Adenosine 2 receptor antagonists ADORA2A, ADORA2B, ADORA3 GPR119 70/4885ME2 1300/4885ME1 4360/4885

“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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