SCHEMBL22644624

SCHEMBL22644624

CN(CCN1CCN(c2ccc(O)cc2)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.46
▸ MAPT P10636 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ GFER P55789 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ DRD4 P21917 6/20 0.45
▸ LMNA P02545 2/20 0.44
▸ HTR7 P34969 3/20 0.43
▸ ME2 P23368 2/20 0.41
▸ ME1 P48163 2/20 0.41
▸ ME3 Q16798 2/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL25228640 0.88 HRH3 (0.46) HRH3KDM4ESMN1; SMN2DRD4HTR7
SCHEMBL22644621 0.84 HRH3 (0.43) HRH3DRD4DRD2MEN1KMT2A
SCHEMBL25279466 0.84 ALDH1A1 (0.47) HRH3MAPTGAAALDH1A1DRD4
SCHEMBL22644667 0.83 DRD4 (0.45) HRH3DRD4MEN1KMT2A
SCHEMBL22638135 0.82 HRH3 (0.54) HRH3MAPTKDM4EGAAALDH1A1
SCHEMBL29749314 0.81 HRH3 (0.42) HRH3DRD4MEN1KMT2A
SCHEMBL22644705 0.81 DRD4 (0.41) HRH3MAPTKDM4EALDH1A1DRD4
SCHEMBL22638129 0.81 HRH3 (0.41) HRH3DRD4DRD2KMT2A
SCHEMBL29749581 0.80 DRD4 (0.40) HRH3MAPTKDM4EALDH1A1DRD4
SCHEMBL13139591 0.80 HRH3 (0.51) HRH3DRD4

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 HRH3 1195/4885MAPT 4829/4885KDM4E 2170/4885
US-12325708-B2 Adenosine 2 receptor antagonists ADORA2A, ADORA2B, ADORA3 HRH3 1195/4885MAPT 4829/4885KDM4E 2170/4885

“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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