SCHEMBL1473630

SCHEMBL1473630

CCOC(=O)c1cc2cc(OCCN3CCC(F)(F)CC3)ccc2o1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
KDM4E B2RXH2 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL6983907 0.88 KDM4E (0.60) CYP1A2KDM4EDRD2DRD3HRH3
SCHEMBL4766909 0.87 CYP1A2 (0.62) CYP1A2KDM4EDRD2DRD3
SCHEMBL1474145 0.87 PIM1 (0.49) KDM4EDRD2DRD3HRH3
SCHEMBL1474114 0.84 LTA4H (0.46) CYP1A2KDM4EDRD2DRD3
SCHEMBL8249871 0.83 GRM4 (0.45) DRD2DRD3HRH3
SCHEMBL18591911 0.80 MAOB (0.52) KDM4E
SCHEMBL18611964 0.80 MAOB (0.52)
SCHEMBL4441264 0.79 HRH3 (0.61) KDM4EDRD2DRD3HRH3
SCHEMBL445130 0.78 KDM4E (0.55) CYP1A2KDM4EDRD2DRD3
SCHEMBL9119332 0.77 MAOB (0.47) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 US disclosed
US-7915300-B2 Especially those of papain superfamily; prophylaxis or treatment of disorders stemming from misbalance of physiological proteases such as cathepsin K; (3aS,6S,6aS)-6-Fluoro-4-{(S)-4-methyl-2-[(R)-2,2,2-trifluoro-1-(4'-methanesulfonylbiphenyl-4-yl)-ethylamino]-pentanoyl}-tetrahydro-furo[3,2-b]pyrrol-3-one MEDIVIR AB (SE) 2011-03-29 US disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 US disclosed
WO-2005066180-A9 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-09-25 WO disclosed
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed
EP-1701960-A1 CYSTEINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-09-20 EP disclosed
WO-2005066180-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-07-21 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-20080234260-A1 Cysteine Protease inhibitors CTSS, CTSZ, CTSK CYP1A2 1743/4885KDM4E 2541/4885DRD2 2140/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK CYP1A2 1512/4885KDM4E 2528/4885DRD2 2118/4885

“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.