SCHEMBL3392926

SCHEMBL3392926

O=C(O)CC[C@H]1CC[C@H](c2ccc(OS(=O)(=O)C(F)(F)F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
DRD5 P21918 1/20 0.48
DRD3 P35462 1/20 0.48
DGAT1 O75907 5/20 0.45
CYP2C9 P11712 1/20 0.40
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
FFAR4 Q5NUL3 3/20 0.38
CXCR2 P25025 1/20 0.37
SOAT1 P35610 1/20 0.37
S1PR1 P21453 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL899642 0.88 DRD2 (0.49) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2258441 0.88 DRD2 (0.49) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2258302 0.88 DRD2 (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2258306 0.88 DRD2 (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL22444698 0.84 DRD2 (0.57) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8508995 0.84 DRD2 (0.59) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8384976 0.84 DRD2 (0.59) DRD2DRD1DRD4DRD5DRD3
SCHEMBL17731137 0.82 DRD2 (0.51) DRD2DRD1DRD4DRD5DRD3
SCHEMBL383244 0.82 DRD2 (0.49) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8080492 0.82 DRD2 (0.46) DRD2DRD1DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES PFIZER INC 2010-08-12 US 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-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES DGAT1, DGAT2, MOGAT2 DRD2 1384/4885DRD1 1410/4885DRD4 1243/4885

“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.