SCHEMBL22638129

SCHEMBL22638129

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ HTR2A P28223 3/20 0.40
▸ HTR1A P08908 2/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ DRD5 P21918 1/20 0.40
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL22644667 0.89 DRD4 (0.45) HRH3DRD4HTR1AKMT2A
SCHEMBL22644621 0.88 HRH3 (0.43) HRH3DRD4HTR2AHTR1ADRD2
SCHEMBL22638170 0.88 HTR1A (0.44) HRH3DRD4HTR2AHTR1ADRD2
SCHEMBL29749314 0.86 HRH3 (0.42) HRH3DRD4KMT2ATHRATHRB
SCHEMBL22644624 0.81 HRH3 (0.46) HRH3DRD4DRD2KMT2A
SCHEMBL29749581 0.80 DRD4 (0.40) HRH3DRD4HTR1ADRD2PPARD
SCHEMBL25228640 0.79 HRH3 (0.46) HRH3DRD4HTR2AHTR1ADRD2
SCHEMBL22644726 0.77 DRD2 (0.59) HRH3DRD4HTR2AHTR1ADRD2
SCHEMBL22644705 0.77 DRD4 (0.41) HRH3DRD4HTR2AHTR1ADRD2
SCHEMBL8257176 0.76 PDK2 (0.45) PDK2SIGMAR1KMT2A

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 1195/4885DRD4 1674/4885PDK2 1540/4885
US-12325708-B2 Adenosine 2 receptor antagonists ADORA2A, ADORA2B, ADORA3 HRH3 1195/4885DRD4 1674/4885PDK2 1540/4885

“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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