SCHEMBL1473088

SCHEMBL1473088

OCCN1CCC(C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
SLC18A3 Q16572 1/20 0.43
DRD3 P35462 9/20 0.39
KCNH2 Q12809 8/20 0.39
DRD2 P14416 8/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.36
KDM1A O60341 1/20 0.34
DRD4 P21917 2/20 0.34
SLC6A5 Q9Y345 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL25436244 0.78 DRD2 (0.44) DRD3KCNH2DRD2ALDH1A1SMN1; SMN2
SCHEMBL5069748 0.78 DRD3 (0.42) DRD3KCNH2DRD2DRD4HSD11B1
SCHEMBL597482 0.78 ALOX15 (0.50) DRD3KCNH2DRD2DRD4
SCHEMBL179340 0.78 SLC18A3 (0.43) KMT2ALMNAHTTSLC18A3KCNH2
SCHEMBL4182146 0.78 DRD3 (0.37) DRD3KCNH2DRD2DRD4
SCHEMBL20541135 0.77 SLC18A3 (0.42) KMT2ALMNAHTTSLC18A3KCNH2
Hydrochloric Acid SCHEMBL4357773 0.77 DRD3 (0.39) KMT2ALMNADRD3KCNH2DRD2
SCHEMBL5069754 0.77 ALDH1A1 (0.50) KMT2ALMNAHTTSLC18A3KDM4E
SCHEMBL2209216 0.75 KEAP1 (0.45) DRD3KCNH2DRD2SMN1; SMN2
SCHEMBL13896727 0.74 ARG1 (0.44) DRD3KCNH2DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US claimed
EP-1268412-B8 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2007-02-21 EP claimed
EP-1268412-B1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2006-11-22 EP claimed
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK CANADA INC. (CA) 2004-02-12 US claimed
JP-2003528076-A 2003-09-24 JP claimed
EP-1268412-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 2003-01-02 EP claimed
WO-2001070677-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 2001-09-27 WO claimed
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
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US disclosed
EP-1268412-B8 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2007-02-21 EP disclosed
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed
EP-1268412-B1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2006-11-22 EP 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
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK CANADA INC. (CA) 2004-02-12 US disclosed
EP-1268412-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 2003-01-02 EP disclosed
WO-2001070677-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 2001-09-27 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 (3 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 KMT2A 1492/4885LMNA 1768/4885HTT 3387/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK KMT2A 1689/4885LMNA 1845/4885HTT 2887/4885
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives BACE1, BACE2, PSEN2 KMT2A 2642/4885LMNA 2673/4885HTT 253/4885

“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.