SCHEMBL14941125

SCHEMBL14941125

O=[C]CN1CCOC(CO)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 2/20 0.45
▸ DRD4 P21917 13/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ PDE5A O76074 1/20 0.33
▸ PDE11A Q9HCR9 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 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
SCHEMBL21069557 0.82 PDK1 (0.45) PDK1DRD4HRH3DRD2DRD3
SCHEMBL24859542 0.76 PDK1 (0.49) PDK1DRD4HRH3DRD2DRD3
SCHEMBL10181368 0.76 PDK1 (0.49) PDK1DRD4HRH3DRD2DRD3
SCHEMBL19488377 0.76 PDK1 (0.49) PDK1DRD4HRH3DRD2DRD3
SCHEMBL28864592 0.75 HSD17B10 (0.48) PDK1DRD4HRH3DRD2DRD3
SCHEMBL169122 0.75 HSD17B10 (0.48) PDK1DRD4HRH3DRD2DRD3
SCHEMBL14940863 0.74 PDK1 (0.47) PDK1HDAC6ADORA2AADORA1
SCHEMBL12226474 0.74 PDK1 (0.44) PDK1DRD4HRH3PDE5APDE11A
SCHEMBL12226471 0.74 PDK1 (0.44) PDK1DRD4HRH3PDE5APDE11A
SCHEMBL3424584 0.74 PDK1 (0.44) PDK1DRD4HRH3DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 — — US claimed
EP-2776407-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2014-09-17 — — EP claimed
WO-2013070657-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-05-16 — — WO claimed
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 — — US disclosed
EP-2776407-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2014-09-17 — — EP disclosed
WO-2013070657-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-05-16 — — 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 (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-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO MRGPRX1, MRGPRX2, AGTR1 PDK1 1027/4885DRD4 3545/4885HRH3 1216/4885

“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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