SCHEMBL22644671

SCHEMBL22644671

COCCOc1ccc(N2CCN(CCN(C)C(=O)OC(C)(C)C)CC2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ DRD2 P14416 11/20 0.44
▸ HTR2A P28223 10/20 0.44
▸ HTR1A P08908 9/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ DRD4 P21917 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ CHRM1 P11229 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
SCHEMBL22644615 0.90 DRD2 (0.47) SLC6A2SLC6A4DRD2HTR2AHTR1A
SCHEMBL22638125 0.88 KDM4E (0.51) SLC6A2SLC6A4DRD2HTR2AHTR1A
SCHEMBL22644667 0.86 DRD4 (0.45) HTR1ADRD4
SCHEMBL22644616 0.86 CXCR3 (0.43) DRD2HTR2AHTR1AKDM4EALDH1A1
SCHEMBL29749563 0.83 DRD2 (0.40) DRD2HTR2AHTR1AALDH1A1PDK2
SCHEMBL22644656 0.83 GPR119 (0.47) DRD2DRD4
SCHEMBL29749314 0.80 HRH3 (0.42) DRD4
SCHEMBL22638139 0.79 FFAR4 (0.48) FFAR4ALDH1A1HSD11B1
SCHEMBL22644660 0.79 HTR1A (0.36) DRD2HTR2AHTR1ADRD4PDK2
SCHEMBL29749666 0.79 HTR1A (0.36) DRD2HTR2AHTR1ADRD4PDK2

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 SLC6A2 879/4885SLC6A4 1490/4885DRD2 466/4885
US-12325708-B2 Adenosine 2 receptor antagonists ADORA2A, ADORA2B, ADORA3 SLC6A2 879/4885SLC6A4 1490/4885DRD2 466/4885

“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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