SCHEMBL2567883

SCHEMBL2567883

O=[N+]([O-])c1ccc(OCCCC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
HRH3 Q9Y5N1 1/20 0.51
KCNH2 Q12809 6/20 0.50
MAPT P10636 3/20 0.49
ALDH1A1 P00352 1/20 0.49
MAOB P27338 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
LTA4H P09960 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL11303 0.92 KCNH2 (0.52) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL9570575 0.84 DRD2 (0.65) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL9969479 0.83 DRD2 (0.54) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL9570561 0.82 HRH3 (0.69) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL10558691 0.82 HRH3 (0.69) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL10559291 0.82 HRH3 (0.69) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL10556391 0.82 HRH3 (0.69) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL5390369 0.82 HRH3 (0.69) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL10554981 0.82 HRH3 (0.69) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL9570637 0.82 HRH3 (0.69) DRD2DRD4DRD3HRH3KCNH2

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
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES DRD2 4328/4885DRD4 4119/4885DRD3 3531/4885

“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.